data_5lfh_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 5lfh _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.266 11.1 ttp85 . . . . . 0 N--CA 1.495 1.794 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.573 1.852 0 N-CA-C 117.121 2.267 . . . . 0.0 117.121 170.606 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 . . . . . 0 N--CA 1.496 1.867 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -99.13 -43.78 6.52 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 123.8 0.84 . . . . 0.0 112.634 -175.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -87.19 26.12 1.25 Allowed 'General case' 0 CA--C 1.586 2.343 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 1 C--O 1.355 6.634 0 CA-C-O 123.952 1.834 . . . . 0.0 111.167 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? . . . . . 0 CA--C 1.573 1.849 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.573 1.857 0 N-CA-C 116.712 2.116 . . . . 0.0 116.712 167.359 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -97.69 -43.43 7.18 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 123.524 0.73 . . . . 0.0 112.78 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -86.48 22.96 1.72 Allowed 'General case' 0 CA--C 1.584 2.279 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 1 C--O 1.356 6.661 0 CA-C-O 123.631 1.681 . . . . 0.0 108.513 174.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? . . . . . 0 CA--C 1.573 1.84 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.573 1.855 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 165.676 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 . . . . . 0 N--CA 1.496 1.844 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -101.47 -45.05 5.42 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 123.875 0.87 . . . . 0.0 112.479 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -78.83 13.34 1.74 Allowed 'General case' 0 CA--C 1.586 2.354 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 1 C--O 1.354 6.599 0 CA-C-O 123.617 1.675 . . . . 0.0 111.681 174.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 . . . . . 0 CA--C 1.572 1.812 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.795 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 169.25 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 . . . . . 0 N--CA 1.498 1.927 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -103.13 -47.08 4.44 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.114 0.965 . . . . 0.0 111.979 -175.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -79.12 13.56 1.78 Allowed 'General case' 0 CA--C 1.585 2.301 0 N-CA-C 116.258 1.948 . . . . 0.0 116.258 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.4 m . . . . . 1 C--O 1.355 6.643 0 CA-C-O 123.18 1.467 . . . . 0.0 110.669 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? . . . . . 0 CA--C 1.574 1.885 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.573 1.845 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 166.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.961 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.37 -48.0 0.83 Allowed 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 126.166 1.786 . . . . 0.0 110.244 -171.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -80.53 21.46 0.64 Allowed 'General case' 0 CA--C 1.587 2.399 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 173.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 1 C--O 1.355 6.635 0 CA-C-O 123.809 1.766 . . . . 0.0 110.475 174.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? . . . . . 0 CA--C 1.573 1.846 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.574 1.886 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 167.484 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.961 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.96 -48.48 1.23 Allowed 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 126.114 1.766 . . . . 0.0 110.234 -172.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -80.95 23.4 0.56 Allowed 'General case' 0 CA--C 1.587 2.384 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 m . . . . . 1 C--O 1.356 6.667 0 CA-C-O 122.935 1.35 . . . . 0.0 109.32 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 mmm-85 . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 119.218 -0.42 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.574 1.887 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 163.815 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.499 1.988 0 N-CA-C 117.328 2.344 . . . . 0.0 117.328 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.96 -49.12 0.38 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 125.872 1.669 . . . . 0.0 109.576 -168.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -80.95 25.22 0.46 Allowed 'General case' 0 CA--C 1.589 2.456 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 170.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 1 C--O 1.356 6.673 0 CA-C-O 123.964 1.84 . . . . 0.0 111.687 173.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.264 1.1 mmp_? . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 119.04 -0.505 . . . . 0.0 111.523 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.573 1.856 0 N-CA-C 116.841 2.163 . . . . 0.0 116.841 162.794 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.97 0 N-CA-C 117.401 2.371 . . . . 0.0 117.401 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.1 -50.32 0.52 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 126.076 1.75 . . . . 0.0 109.357 -168.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -82.6 25.4 0.64 Allowed 'General case' 0 CA--C 1.587 2.375 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 174.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 1 C--O 1.356 6.674 0 CA-C-O 123.205 1.479 . . . . 0.0 109.558 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 119.229 -0.415 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.908 0 N-CA-C 116.971 2.212 . . . . 0.0 116.971 165.11 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.966 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.15 -50.16 0.38 Allowed 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.801 1.641 . . . . 0.0 109.307 -168.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -80.09 22.96 0.49 Allowed 'General case' 0 CA--C 1.588 2.426 0 N-CA-C 115.999 1.851 . . . . 0.0 115.999 171.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 1 C--O 1.355 6.623 0 CA-C-O 123.243 1.497 . . . . 0.0 110.074 173.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.8 mmm-85 . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 119.109 -0.472 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.575 1.907 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 165.766 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -100.78 -0.58 36.86 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -134.41 41.68 2.92 Favored 'General case' 0 CA--C 1.58 2.133 0 CA-C-N 119.489 1.04 . . . . 0.0 112.165 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 1 C--O 1.355 6.639 0 CA-C-O 123.989 1.852 . . . . 0.0 111.919 -172.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.266 11.1 ttp85 -133.49 -123.83 0.18 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 123.862 0.726 . . . . 0.0 109.138 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.18 -4.62 59.21 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 117.121 2.267 . . . . 0.0 117.121 170.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -83.31 -49.47 9.34 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 166.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -99.13 -43.78 6.52 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 123.8 0.84 . . . . 0.0 112.634 -175.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -87.19 26.12 1.25 Allowed 'General case' 0 CA--C 1.586 2.343 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 1 C--O 1.355 6.634 0 CA-C-O 123.952 1.834 . . . . 0.0 111.167 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -125.43 -122.55 0.25 Allowed 'General case' 0 CA--C 1.573 1.849 0 O-C-N 123.837 0.711 . . . . 0.0 109.134 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.34 -1.08 57.29 Favored 'General case' 0 CA--C 1.573 1.857 0 N-CA-C 116.712 2.116 . . . . 0.0 116.712 167.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -82.68 -51.6 7.57 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 165.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -97.69 -43.43 7.18 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 123.524 0.73 . . . . 0.0 112.78 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -86.48 22.96 1.72 Allowed 'General case' 0 CA--C 1.584 2.279 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 1 C--O 1.356 6.661 0 CA-C-O 123.631 1.681 . . . . 0.0 108.513 174.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -128.06 -126.81 0.22 Allowed 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.92 -3.85 59.12 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 165.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -84.09 -48.0 10.32 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 166.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -101.47 -45.05 5.42 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 123.875 0.87 . . . . 0.0 112.479 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -78.83 13.34 1.74 Allowed 'General case' 0 CA--C 1.586 2.354 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 1 C--O 1.354 6.599 0 CA-C-O 123.617 1.675 . . . . 0.0 111.681 174.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.002 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 -132.97 -124.74 0.18 Allowed 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.79 -5.11 59.21 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 169.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -83.7 -45.36 13.49 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 166.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -103.13 -47.08 4.44 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.114 0.965 . . . . 0.0 111.979 -175.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -79.12 13.56 1.78 Allowed 'General case' 0 CA--C 1.585 2.301 0 N-CA-C 116.258 1.948 . . . . 0.0 116.258 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.4 m . . . . . 1 C--O 1.355 6.643 0 CA-C-O 123.18 1.467 . . . . 0.0 110.669 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.035 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -127.67 -126.81 0.22 Allowed 'General case' 0 CA--C 1.574 1.885 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.09 -3.7 59.01 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 166.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.43 -21.28 24.34 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 171.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.37 -48.0 0.83 Allowed 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 126.166 1.786 . . . . 0.0 110.244 -171.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -80.53 21.46 0.64 Allowed 'General case' 0 CA--C 1.587 2.399 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 173.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 1 C--O 1.355 6.635 0 CA-C-O 123.809 1.766 . . . . 0.0 110.475 174.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -126.79 -124.84 0.23 Allowed 'General case' 0 CA--C 1.573 1.846 0 O-C-N 123.808 0.693 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.35 -1.79 58.23 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 167.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.93 -24.38 23.62 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 170.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.96 -48.48 1.23 Allowed 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 126.114 1.766 . . . . 0.0 110.234 -172.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -80.95 23.4 0.56 Allowed 'General case' 0 CA--C 1.587 2.384 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 m . . . . . 1 C--O 1.356 6.667 0 CA-C-O 122.935 1.35 . . . . 0.0 109.32 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 mmm-85 -96.97 -108.33 0.16 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 123.838 0.711 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.55 -6.4 55.39 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 163.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.47 -15.64 30.44 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 117.328 2.344 . . . . 0.0 117.328 172.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.96 -49.12 0.38 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 125.872 1.669 . . . . 0.0 109.576 -168.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -80.95 25.22 0.46 Allowed 'General case' 0 CA--C 1.589 2.456 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 170.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 1 C--O 1.356 6.673 0 CA-C-O 123.964 1.84 . . . . 0.0 111.687 173.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.264 1.1 mmp_? -97.12 -106.29 0.17 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 123.929 0.768 . . . . 0.0 111.523 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.83 -5.73 56.0 Favored 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 116.841 2.163 . . . . 0.0 116.841 162.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.7 -16.7 33.58 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 117.401 2.371 . . . . 0.0 117.401 171.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.1 -50.32 0.52 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 126.076 1.75 . . . . 0.0 109.357 -168.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -82.6 25.4 0.64 Allowed 'General case' 0 CA--C 1.587 2.375 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 174.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 1 C--O 1.356 6.674 0 CA-C-O 123.205 1.479 . . . . 0.0 109.558 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.023 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -93.01 -107.73 0.11 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 123.707 0.629 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.91 -6.23 55.67 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 116.971 2.212 . . . . 0.0 116.971 165.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.01 -15.41 34.17 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 172.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.15 -50.16 0.38 Allowed 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.801 1.641 . . . . 0.0 109.307 -168.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -80.09 22.96 0.49 Allowed 'General case' 0 CA--C 1.588 2.426 0 N-CA-C 115.999 1.851 . . . . 0.0 115.999 171.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 1 C--O 1.355 6.623 0 CA-C-O 123.243 1.497 . . . . 0.0 110.074 173.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.8 mmm-85 -97.32 -105.26 0.18 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 123.997 0.811 . . . . 0.0 110.737 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.93 -3.72 40.26 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 165.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -99.3 -50.93 3.95 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 124.207 1.003 . . . . 0.0 112.34 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -100.78 -0.58 36.86 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -134.41 41.68 2.92 Favored 'General case' 0 CA--C 1.58 2.133 0 CA-C-N 119.489 1.04 . . . . 0.0 112.165 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 1 C--O 1.355 6.639 0 CA-C-O 123.989 1.852 . . . . 0.0 111.919 -172.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.266 11.1 ttp85 . . . . . 0 N--CA 1.495 1.794 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.573 1.852 0 N-CA-C 117.121 2.267 . . . . 0.0 117.121 170.606 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 . . . . . 0 N--CA 1.496 1.867 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -99.13 -43.78 6.52 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 123.8 0.84 . . . . 0.0 112.634 -175.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -87.19 26.12 1.25 Allowed 'General case' 0 CA--C 1.586 2.343 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 1 C--O 1.355 6.634 0 CA-C-O 123.952 1.834 . . . . 0.0 111.167 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? . . . . . 0 CA--C 1.573 1.849 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.573 1.857 0 N-CA-C 116.712 2.116 . . . . 0.0 116.712 167.359 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -97.69 -43.43 7.18 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 123.524 0.73 . . . . 0.0 112.78 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -86.48 22.96 1.72 Allowed 'General case' 0 CA--C 1.584 2.279 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 1 C--O 1.356 6.661 0 CA-C-O 123.631 1.681 . . . . 0.0 108.513 174.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? . . . . . 0 CA--C 1.573 1.84 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.573 1.855 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 165.676 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 . . . . . 0 N--CA 1.496 1.844 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -101.47 -45.05 5.42 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 123.875 0.87 . . . . 0.0 112.479 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -78.83 13.34 1.74 Allowed 'General case' 0 CA--C 1.586 2.354 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 1 C--O 1.354 6.599 0 CA-C-O 123.617 1.675 . . . . 0.0 111.681 174.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 . . . . . 0 CA--C 1.572 1.812 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.795 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 169.25 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 . . . . . 0 N--CA 1.498 1.927 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -103.13 -47.08 4.44 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.114 0.965 . . . . 0.0 111.979 -175.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -79.12 13.56 1.78 Allowed 'General case' 0 CA--C 1.585 2.301 0 N-CA-C 116.258 1.948 . . . . 0.0 116.258 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.4 m . . . . . 1 C--O 1.355 6.643 0 CA-C-O 123.18 1.467 . . . . 0.0 110.669 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? . . . . . 0 CA--C 1.574 1.885 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.573 1.845 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 166.995 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.961 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.37 -48.0 0.83 Allowed 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 126.166 1.786 . . . . 0.0 110.244 -171.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -80.53 21.46 0.64 Allowed 'General case' 0 CA--C 1.587 2.399 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 173.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 1 C--O 1.355 6.635 0 CA-C-O 123.809 1.766 . . . . 0.0 110.475 174.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? . . . . . 0 CA--C 1.573 1.846 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.574 1.886 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 167.484 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.961 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.96 -48.48 1.23 Allowed 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 126.114 1.766 . . . . 0.0 110.234 -172.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -80.95 23.4 0.56 Allowed 'General case' 0 CA--C 1.587 2.384 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 m . . . . . 1 C--O 1.356 6.667 0 CA-C-O 122.935 1.35 . . . . 0.0 109.32 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 mmm-85 . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 119.218 -0.42 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.574 1.887 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 163.815 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.499 1.988 0 N-CA-C 117.328 2.344 . . . . 0.0 117.328 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.96 -49.12 0.38 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 125.872 1.669 . . . . 0.0 109.576 -168.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -80.95 25.22 0.46 Allowed 'General case' 0 CA--C 1.589 2.456 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 170.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 1 C--O 1.356 6.673 0 CA-C-O 123.964 1.84 . . . . 0.0 111.687 173.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.264 1.1 mmp_? . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 119.04 -0.505 . . . . 0.0 111.523 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.573 1.856 0 N-CA-C 116.841 2.163 . . . . 0.0 116.841 162.794 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.97 0 N-CA-C 117.401 2.371 . . . . 0.0 117.401 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.1 -50.32 0.52 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 126.076 1.75 . . . . 0.0 109.357 -168.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -82.6 25.4 0.64 Allowed 'General case' 0 CA--C 1.587 2.375 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 174.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 1 C--O 1.356 6.674 0 CA-C-O 123.205 1.479 . . . . 0.0 109.558 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 119.229 -0.415 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.908 0 N-CA-C 116.971 2.212 . . . . 0.0 116.971 165.11 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.966 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.15 -50.16 0.38 Allowed 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.801 1.641 . . . . 0.0 109.307 -168.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -80.09 22.96 0.49 Allowed 'General case' 0 CA--C 1.588 2.426 0 N-CA-C 115.999 1.851 . . . . 0.0 115.999 171.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 1 C--O 1.355 6.623 0 CA-C-O 123.243 1.497 . . . . 0.0 110.074 173.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.8 mmm-85 . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 119.109 -0.472 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.575 1.907 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 165.766 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -100.78 -0.58 36.86 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -134.41 41.68 2.92 Favored 'General case' 0 CA--C 1.58 2.133 0 CA-C-N 119.489 1.04 . . . . 0.0 112.165 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 1 C--O 1.355 6.639 0 CA-C-O 123.989 1.852 . . . . 0.0 111.919 -172.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.266 11.1 ttp85 -133.49 -123.83 0.18 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 123.862 0.726 . . . . 0.0 109.138 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.18 -4.62 59.21 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 117.121 2.267 . . . . 0.0 117.121 170.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -83.31 -49.47 9.34 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 166.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -99.13 -43.78 6.52 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 123.8 0.84 . . . . 0.0 112.634 -175.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -87.19 26.12 1.25 Allowed 'General case' 0 CA--C 1.586 2.343 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 1 C--O 1.355 6.634 0 CA-C-O 123.952 1.834 . . . . 0.0 111.167 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -125.43 -122.55 0.25 Allowed 'General case' 0 CA--C 1.573 1.849 0 O-C-N 123.837 0.711 . . . . 0.0 109.134 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.34 -1.08 57.29 Favored 'General case' 0 CA--C 1.573 1.857 0 N-CA-C 116.712 2.116 . . . . 0.0 116.712 167.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -82.68 -51.6 7.57 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 165.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -97.69 -43.43 7.18 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 123.524 0.73 . . . . 0.0 112.78 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -86.48 22.96 1.72 Allowed 'General case' 0 CA--C 1.584 2.279 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 1 C--O 1.356 6.661 0 CA-C-O 123.631 1.681 . . . . 0.0 108.513 174.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -128.06 -126.81 0.22 Allowed 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.92 -3.85 59.12 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 165.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -84.09 -48.0 10.32 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 166.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -101.47 -45.05 5.42 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 123.875 0.87 . . . . 0.0 112.479 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -78.83 13.34 1.74 Allowed 'General case' 0 CA--C 1.586 2.354 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 1 C--O 1.354 6.599 0 CA-C-O 123.617 1.675 . . . . 0.0 111.681 174.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.002 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 -132.97 -124.74 0.18 Allowed 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.79 -5.11 59.21 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 169.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -83.7 -45.36 13.49 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 166.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -103.13 -47.08 4.44 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.114 0.965 . . . . 0.0 111.979 -175.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -79.12 13.56 1.78 Allowed 'General case' 0 CA--C 1.585 2.301 0 N-CA-C 116.258 1.948 . . . . 0.0 116.258 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.4 m . . . . . 1 C--O 1.355 6.643 0 CA-C-O 123.18 1.467 . . . . 0.0 110.669 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.035 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -127.67 -126.81 0.22 Allowed 'General case' 0 CA--C 1.574 1.885 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.09 -3.7 59.01 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 166.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.43 -21.28 24.34 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 171.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.37 -48.0 0.83 Allowed 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 126.166 1.786 . . . . 0.0 110.244 -171.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -80.53 21.46 0.64 Allowed 'General case' 0 CA--C 1.587 2.399 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 173.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 1 C--O 1.355 6.635 0 CA-C-O 123.809 1.766 . . . . 0.0 110.475 174.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -126.79 -124.84 0.23 Allowed 'General case' 0 CA--C 1.573 1.846 0 O-C-N 123.808 0.693 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.35 -1.79 58.23 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 167.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.93 -24.38 23.62 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 170.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.96 -48.48 1.23 Allowed 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 126.114 1.766 . . . . 0.0 110.234 -172.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -80.95 23.4 0.56 Allowed 'General case' 0 CA--C 1.587 2.384 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 m . . . . . 1 C--O 1.356 6.667 0 CA-C-O 122.935 1.35 . . . . 0.0 109.32 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 mmm-85 -96.97 -108.33 0.16 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 123.838 0.711 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.55 -6.4 55.39 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 163.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.47 -15.64 30.44 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 117.328 2.344 . . . . 0.0 117.328 172.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.96 -49.12 0.38 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 125.872 1.669 . . . . 0.0 109.576 -168.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -80.95 25.22 0.46 Allowed 'General case' 0 CA--C 1.589 2.456 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 170.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 1 C--O 1.356 6.673 0 CA-C-O 123.964 1.84 . . . . 0.0 111.687 173.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.264 1.1 mmp_? -97.12 -106.29 0.17 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 123.929 0.768 . . . . 0.0 111.523 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.83 -5.73 56.0 Favored 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 116.841 2.163 . . . . 0.0 116.841 162.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.7 -16.7 33.58 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 117.401 2.371 . . . . 0.0 117.401 171.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.1 -50.32 0.52 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 126.076 1.75 . . . . 0.0 109.357 -168.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -82.6 25.4 0.64 Allowed 'General case' 0 CA--C 1.587 2.375 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 174.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 1 C--O 1.356 6.674 0 CA-C-O 123.205 1.479 . . . . 0.0 109.558 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.023 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -93.01 -107.73 0.11 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 123.707 0.629 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.91 -6.23 55.67 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 116.971 2.212 . . . . 0.0 116.971 165.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.01 -15.41 34.17 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 172.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.15 -50.16 0.38 Allowed 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.801 1.641 . . . . 0.0 109.307 -168.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -80.09 22.96 0.49 Allowed 'General case' 0 CA--C 1.588 2.426 0 N-CA-C 115.999 1.851 . . . . 0.0 115.999 171.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 1 C--O 1.355 6.623 0 CA-C-O 123.243 1.497 . . . . 0.0 110.074 173.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.8 mmm-85 -97.32 -105.26 0.18 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 123.997 0.811 . . . . 0.0 110.737 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.93 -3.72 40.26 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 165.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -99.3 -50.93 3.95 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 124.207 1.003 . . . . 0.0 112.34 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -100.78 -0.58 36.86 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -134.41 41.68 2.92 Favored 'General case' 0 CA--C 1.58 2.133 0 CA-C-N 119.489 1.04 . . . . 0.0 112.165 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 1 C--O 1.355 6.639 0 CA-C-O 123.989 1.852 . . . . 0.0 111.919 -172.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.266 11.1 ttp85 . . . . . 0 N--CA 1.495 1.794 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.573 1.852 0 N-CA-C 117.121 2.267 . . . . 0.0 117.121 170.606 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 . . . . . 0 N--CA 1.496 1.867 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -99.13 -43.78 6.52 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 123.8 0.84 . . . . 0.0 112.634 -175.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -87.19 26.12 1.25 Allowed 'General case' 0 CA--C 1.586 2.343 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 1 C--O 1.355 6.634 0 CA-C-O 123.952 1.834 . . . . 0.0 111.167 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? . . . . . 0 CA--C 1.573 1.849 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.573 1.857 0 N-CA-C 116.712 2.116 . . . . 0.0 116.712 167.359 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -97.69 -43.43 7.18 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 123.524 0.73 . . . . 0.0 112.78 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -86.48 22.96 1.72 Allowed 'General case' 0 CA--C 1.584 2.279 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 1 C--O 1.356 6.661 0 CA-C-O 123.631 1.681 . . . . 0.0 108.513 174.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? . . . . . 0 CA--C 1.573 1.84 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.573 1.855 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 165.676 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 . . . . . 0 N--CA 1.496 1.844 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -101.47 -45.05 5.42 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 123.875 0.87 . . . . 0.0 112.479 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -78.83 13.34 1.74 Allowed 'General case' 0 CA--C 1.586 2.354 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 1 C--O 1.354 6.599 0 CA-C-O 123.617 1.675 . . . . 0.0 111.681 174.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 . . . . . 0 CA--C 1.572 1.812 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.795 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 169.25 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 . . . . . 0 N--CA 1.498 1.927 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -103.13 -47.08 4.44 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.114 0.965 . . . . 0.0 111.979 -175.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -79.12 13.56 1.78 Allowed 'General case' 0 CA--C 1.585 2.301 0 N-CA-C 116.258 1.948 . . . . 0.0 116.258 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.4 m . . . . . 1 C--O 1.355 6.643 0 CA-C-O 123.18 1.467 . . . . 0.0 110.669 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? . . . . . 0 CA--C 1.574 1.885 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.573 1.845 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 166.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.961 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.37 -48.0 0.83 Allowed 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 126.166 1.786 . . . . 0.0 110.244 -171.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -80.53 21.46 0.64 Allowed 'General case' 0 CA--C 1.587 2.399 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 173.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 1 C--O 1.355 6.635 0 CA-C-O 123.809 1.766 . . . . 0.0 110.475 174.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? . . . . . 0 CA--C 1.573 1.846 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.574 1.886 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 167.484 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.498 1.961 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.96 -48.48 1.23 Allowed 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 126.114 1.766 . . . . 0.0 110.234 -172.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -80.95 23.4 0.56 Allowed 'General case' 0 CA--C 1.587 2.384 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 m . . . . . 1 C--O 1.356 6.667 0 CA-C-O 122.935 1.35 . . . . 0.0 109.32 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 mmm-85 . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 119.218 -0.42 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.574 1.887 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 163.815 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.499 1.988 0 N-CA-C 117.328 2.344 . . . . 0.0 117.328 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.96 -49.12 0.38 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 125.872 1.669 . . . . 0.0 109.576 -168.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -80.95 25.22 0.46 Allowed 'General case' 0 CA--C 1.589 2.456 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 170.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 1 C--O 1.356 6.673 0 CA-C-O 123.964 1.84 . . . . 0.0 111.687 173.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.264 1.1 mmp_? . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 119.04 -0.505 . . . . 0.0 111.523 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.573 1.856 0 N-CA-C 116.841 2.163 . . . . 0.0 116.841 162.794 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.498 1.97 0 N-CA-C 117.401 2.371 . . . . 0.0 117.401 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.1 -50.32 0.52 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 126.076 1.75 . . . . 0.0 109.357 -168.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -82.6 25.4 0.64 Allowed 'General case' 0 CA--C 1.587 2.375 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 174.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 1 C--O 1.356 6.674 0 CA-C-O 123.205 1.479 . . . . 0.0 109.558 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 . . . . . 0 N--CA 1.495 1.815 0 CA-C-O 119.229 -0.415 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 1.908 0 N-CA-C 116.971 2.212 . . . . 0.0 116.971 165.11 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.498 1.966 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.15 -50.16 0.38 Allowed 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.801 1.641 . . . . 0.0 109.307 -168.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -80.09 22.96 0.49 Allowed 'General case' 0 CA--C 1.588 2.426 0 N-CA-C 115.999 1.851 . . . . 0.0 115.999 171.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 1 C--O 1.355 6.623 0 CA-C-O 123.243 1.497 . . . . 0.0 110.074 173.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.8 mmm-85 . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 119.109 -0.472 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.575 1.907 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 165.766 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -100.78 -0.58 36.86 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -134.41 41.68 2.92 Favored 'General case' 0 CA--C 1.58 2.133 0 CA-C-N 119.489 1.04 . . . . 0.0 112.165 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 1 C--O 1.355 6.639 0 CA-C-O 123.989 1.852 . . . . 0.0 111.919 -172.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.266 11.1 ttp85 -133.49 -123.83 0.18 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 123.862 0.726 . . . . 0.0 109.138 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.18 -4.62 59.21 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 117.121 2.267 . . . . 0.0 117.121 170.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 59.8 mtt180 -83.31 -49.47 9.34 Favored 'General case' 0 N--CA 1.496 1.867 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 166.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -99.13 -43.78 6.52 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 123.8 0.84 . . . . 0.0 112.634 -175.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -87.19 26.12 1.25 Allowed 'General case' 0 CA--C 1.586 2.343 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 m . . . . . 1 C--O 1.355 6.634 0 CA-C-O 123.952 1.834 . . . . 0.0 111.167 175.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -125.43 -122.55 0.25 Allowed 'General case' 0 CA--C 1.573 1.849 0 O-C-N 123.837 0.711 . . . . 0.0 109.134 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.34 -1.08 57.29 Favored 'General case' 0 CA--C 1.573 1.857 0 N-CA-C 116.712 2.116 . . . . 0.0 116.712 167.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -82.68 -51.6 7.57 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 165.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -97.69 -43.43 7.18 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 123.524 0.73 . . . . 0.0 112.78 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -86.48 22.96 1.72 Allowed 'General case' 0 CA--C 1.584 2.279 0 N-CA-C 115.388 1.625 . . . . 0.0 115.388 -178.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 m . . . . . 1 C--O 1.356 6.661 0 CA-C-O 123.631 1.681 . . . . 0.0 108.513 174.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.7 tpm_? -128.06 -126.81 0.22 Allowed 'General case' 0 CA--C 1.573 1.84 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.92 -3.85 59.12 Favored 'General case' 0 CA--C 1.573 1.855 0 N-CA-C 116.847 2.166 . . . . 0.0 116.847 165.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -84.09 -48.0 10.32 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 113.936 1.087 . . . . 0.0 113.936 166.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -101.47 -45.05 5.42 Favored 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 123.875 0.87 . . . . 0.0 112.479 -175.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -78.83 13.34 1.74 Allowed 'General case' 0 CA--C 1.586 2.354 0 N-CA-C 116.321 1.971 . . . . 0.0 116.321 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 1 C--O 1.354 6.599 0 CA-C-O 123.617 1.675 . . . . 0.0 111.681 174.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.002 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 -132.97 -124.74 0.18 Allowed 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.79 -5.11 59.21 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 117.14 2.274 . . . . 0.0 117.14 169.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -83.7 -45.36 13.49 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 166.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -103.13 -47.08 4.44 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 124.114 0.965 . . . . 0.0 111.979 -175.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -79.12 13.56 1.78 Allowed 'General case' 0 CA--C 1.585 2.301 0 N-CA-C 116.258 1.948 . . . . 0.0 116.258 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.4 m . . . . . 1 C--O 1.355 6.643 0 CA-C-O 123.18 1.467 . . . . 0.0 110.669 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.035 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -127.67 -126.81 0.22 Allowed 'General case' 0 CA--C 1.574 1.885 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -86.09 -3.7 59.01 Favored 'General case' 0 CA--C 1.573 1.845 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 166.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -88.43 -21.28 24.34 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.492 2.034 . . . . 0.0 116.492 171.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.37 -48.0 0.83 Allowed 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 126.166 1.786 . . . . 0.0 110.244 -171.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -80.53 21.46 0.64 Allowed 'General case' 0 CA--C 1.587 2.399 0 N-CA-C 115.894 1.813 . . . . 0.0 115.894 173.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 1 C--O 1.355 6.635 0 CA-C-O 123.809 1.766 . . . . 0.0 110.475 174.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -126.79 -124.84 0.23 Allowed 'General case' 0 CA--C 1.573 1.846 0 O-C-N 123.808 0.693 . . . . 0.0 109.225 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.35 -1.79 58.23 Favored 'General case' 0 CA--C 1.574 1.886 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 167.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -87.93 -24.38 23.62 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 116.386 1.995 . . . . 0.0 116.386 170.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.96 -48.48 1.23 Allowed 'General case' 0 N--CA 1.494 1.736 0 C-N-CA 126.114 1.766 . . . . 0.0 110.234 -172.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -80.95 23.4 0.56 Allowed 'General case' 0 CA--C 1.587 2.384 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 175.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 m . . . . . 1 C--O 1.356 6.667 0 CA-C-O 122.935 1.35 . . . . 0.0 109.32 176.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.037 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.5 mmm-85 -96.97 -108.33 0.16 Allowed 'General case' 0 N--CA 1.494 1.756 0 O-C-N 123.838 0.711 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.55 -6.4 55.39 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 116.94 2.2 . . . . 0.0 116.94 163.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.47 -15.64 30.44 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 117.328 2.344 . . . . 0.0 117.328 172.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -141.96 -49.12 0.38 Allowed 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 125.872 1.669 . . . . 0.0 109.576 -168.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -80.95 25.22 0.46 Allowed 'General case' 0 CA--C 1.589 2.456 0 N-CA-C 115.691 1.737 . . . . 0.0 115.691 170.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m . . . . . 1 C--O 1.356 6.673 0 CA-C-O 123.964 1.84 . . . . 0.0 111.687 173.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 0.264 1.1 mmp_? -97.12 -106.29 0.17 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 123.929 0.768 . . . . 0.0 111.523 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.83 -5.73 56.0 Favored 'General case' 0 CA--C 1.573 1.856 0 N-CA-C 116.841 2.163 . . . . 0.0 116.841 162.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.7 -16.7 33.58 Favored 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 117.401 2.371 . . . . 0.0 117.401 171.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.1 -50.32 0.52 Allowed 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 126.076 1.75 . . . . 0.0 109.357 -168.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -82.6 25.4 0.64 Allowed 'General case' 0 CA--C 1.587 2.375 0 N-CA-C 115.683 1.734 . . . . 0.0 115.683 174.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 1 C--O 1.356 6.674 0 CA-C-O 123.205 1.479 . . . . 0.0 109.558 174.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.023 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -93.01 -107.73 0.11 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 123.707 0.629 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.91 -6.23 55.67 Favored 'General case' 0 N--CA 1.497 1.908 0 N-CA-C 116.971 2.212 . . . . 0.0 116.971 165.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.01 -15.41 34.17 Favored 'General case' 0 N--CA 1.498 1.966 0 N-CA-C 117.432 2.382 . . . . 0.0 117.432 172.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.15 -50.16 0.38 Allowed 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.801 1.641 . . . . 0.0 109.307 -168.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -80.09 22.96 0.49 Allowed 'General case' 0 CA--C 1.588 2.426 0 N-CA-C 115.999 1.851 . . . . 0.0 115.999 171.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 1 C--O 1.355 6.623 0 CA-C-O 123.243 1.497 . . . . 0.0 110.074 173.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.8 mmm-85 -97.32 -105.26 0.18 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 123.997 0.811 . . . . 0.0 110.737 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.93 -3.72 40.26 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 165.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -99.3 -50.93 3.95 Favored 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 124.207 1.003 . . . . 0.0 112.34 178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -100.78 -0.58 36.86 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -134.41 41.68 2.92 Favored 'General case' 0 CA--C 1.58 2.133 0 CA-C-N 119.489 1.04 . . . . 0.0 112.165 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 1 C--O 1.355 6.639 0 CA-C-O 123.989 1.852 . . . . 0.0 111.919 -172.415 . . . . . . . . 2 2 . 1 stop_ save_