data_2p7r_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 2p7r _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 ' 1' ' ' CYS . . . . . 0.49 ' H3 ' ' C ' ' A' ' 5' ' ' CYS . 9.5 m . . . . . 0 CA--C 1.58 2.105 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.27 -37.72 48.74 Favored 'Trans proline' 0 CA--C 1.574 2.521 0 N-CA-C 117.852 2.212 . . . . 0.0 117.852 161.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -96.2 -44.36 7.31 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 -160.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.9 -53.76 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 C-N-CA 123.666 0.786 . . . . 0.0 112.719 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.49 ' C ' ' H3 ' ' A' ' 1' ' ' CYS . 27.2 p . . . . . 0 CA--C 1.559 1.326 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 38.5 m . . . . . 0 CA--C 1.578 2.045 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -69.02 -30.22 26.08 Favored 'Trans proline' 0 CA--C 1.582 2.918 0 CA-C-N 122.819 2.042 . . . . 0.0 117.394 151.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -80.49 -51.64 8.56 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -167.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.4 p -156.35 -45.52 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.497 0 C-N-CA 124.213 1.005 . . . . 0.0 112.304 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 CA--C 1.566 1.59 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 176.24 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 92.8 m . . . . . 0 CA--C 1.585 2.327 0 CA-C-O 117.897 -1.049 . . . . 0.0 112.903 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -60.05 -32.73 95.24 Favored 'Trans proline' 0 CA--C 1.577 2.627 0 CA-C-N 123.777 2.385 . . . . 0.0 117.152 163.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.46 -67.84 0.9 Allowed 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 125.914 1.686 . . . . 0.0 110.267 -176.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 p -151.95 114.66 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.785 0 C-N-CA 124.022 0.929 . . . . 0.0 108.532 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.255 15.7 p . . . . . 0 C--O 1.261 1.668 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 152.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.58 2.12 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -63.57 -39.15 37.24 Favored 'Trans proline' 0 CA--C 1.576 2.619 0 N-CA-C 117.86 2.215 . . . . 0.0 117.86 158.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -97.06 -55.3 2.9 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -158.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.42 -2.1 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.446 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 -173.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.256 1.438 0 O-C-N 120.938 -1.101 . . . . 0.0 110.335 -175.281 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.539 ' H1 ' ' C ' ' A' ' 5' ' ' CYS . 12.8 p . . . . . 0 CA--C 1.578 2.05 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.49 -30.52 79.95 Favored 'Trans proline' 0 CA--C 1.574 2.502 0 N-CA-C 118.958 2.638 . . . . 0.0 118.958 163.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -88.77 -78.25 0.35 Allowed 'General case' 0 CA--C 1.574 1.87 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -161.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.0 p -154.45 48.76 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.345 0 C-N-CA 124.792 1.237 . . . . 0.0 110.462 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.539 ' C ' ' H1 ' ' A' ' 1' ' ' CYS . 5.9 p . . . . . 0 CA--C 1.566 1.592 0 O-C-N 119.991 -1.693 . . . . 0.0 109.939 -161.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.419 ' H1 ' ' C ' ' A' ' 5' ' ' CYS . 18.5 m . . . . . 0 CA--C 1.577 1.982 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.18 -31.36 89.95 Favored 'Trans proline' 0 CA--C 1.575 2.556 0 N-CA-C 118.22 2.354 . . . . 0.0 118.22 159.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -98.01 -60.97 1.45 Allowed 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -163.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 p -158.47 10.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.589 2.478 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -164.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.419 ' C ' ' H1 ' ' A' ' 1' ' ' CYS . 17.2 p . . . . . 0 C--O 1.254 1.33 0 O-C-N 120.103 -1.623 . . . . 0.0 109.233 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.4 m . . . . . 0 CA--C 1.579 2.09 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.61 -32.31 12.16 Favored 'Trans proline' 0 CA--C 1.581 2.86 0 N-CA-C 117.394 2.036 . . . . 0.0 117.394 154.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -82.51 -48.7 10.73 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 -167.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.9 p -154.48 -45.44 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.53 0 C-N-CA 123.892 0.877 . . . . 0.0 112.629 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 C--O 1.259 1.571 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 177.537 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.472 ' H1 ' ' C ' ' A' ' 5' ' ' CYS . 5.9 p . . . . . 0 CA--C 1.582 2.193 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -70.27 -38.9 6.1 Favored 'Trans proline' 0 CA--C 1.574 2.515 0 N-CA-C 118.447 2.441 . . . . 0.0 118.447 157.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -73.25 -79.51 0.08 Allowed 'General case' 0 CA--C 1.576 1.971 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -159.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.52 49.32 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.653 0 CA-C-O 122.347 1.07 . . . . 0.0 110.021 169.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.472 ' C ' ' H1 ' ' A' ' 1' ' ' CYS . 5.9 p . . . . . 0 CA--C 1.565 1.55 0 O-C-N 120.271 -1.518 . . . . 0.0 110.799 -158.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.407 ' SG ' ' OXT' ' A' ' 5' ' ' CYS . 34.1 m . . . . . 0 CA--C 1.579 2.081 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.876 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -58.91 -33.54 98.69 Favored 'Trans proline' 0 CA--C 1.577 2.658 0 N-CA-C 117.574 2.106 . . . . 0.0 117.574 154.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -82.61 -88.59 0.09 Allowed 'General case' 0 CA--C 1.57 1.739 0 C-N-CA 124.452 1.101 . . . . 0.0 111.637 -167.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -155.71 71.69 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 CA-C-O 122.586 1.184 . . . . 0.0 109.324 161.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.407 ' OXT' ' SG ' ' A' ' 1' ' ' CYS . 9.5 p . . . . . 0 C--O 1.255 1.371 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 165.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . 0.488 ' H3 ' ' C ' ' A' ' 5' ' ' CYS . 6.3 m . . . . . 0 CA--C 1.58 2.128 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -67.34 -37.04 18.81 Favored 'Trans proline' 0 CA--C 1.575 2.545 0 C-N-CA 122.377 2.052 . . . . 0.0 117.341 163.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -96.87 -43.84 7.31 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -161.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.9 p -150.32 -54.12 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 C-N-CA 123.702 0.801 . . . . 0.0 112.676 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.488 ' C ' ' H3 ' ' A' ' 1' ' ' CYS . 27.9 p . . . . . 0 C--O 1.257 1.492 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 CA--C 1.58 2.109 0 CA-C-O 119.499 -0.286 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -64.65 -38.83 29.8 Favored 'Trans proline' 0 CA--C 1.578 2.722 0 N-CA-C 117.365 2.025 . . . . 0.0 117.365 158.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -100.54 -44.23 5.93 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 -158.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.3 p -151.48 -46.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-N 119.117 0.872 . . . . 0.0 113.083 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.9 p . . . . . 0 CA--C 1.564 1.504 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 176.172 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.49 ' H3 ' ' C ' ' A' ' 5' ' ' CYS . 9.5 m . . . . . 0 CA--C 1.58 2.105 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.27 -37.72 48.74 Favored 'Trans proline' 0 CA--C 1.574 2.521 0 N-CA-C 117.852 2.212 . . . . 0.0 117.852 161.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -96.2 -44.36 7.31 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 -160.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.9 -53.76 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 C-N-CA 123.666 0.786 . . . . 0.0 112.719 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.49 ' C ' ' H3 ' ' A' ' 1' ' ' CYS . 27.2 p . . . . . 0 CA--C 1.559 1.326 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 38.5 m . . . . . 0 CA--C 1.578 2.045 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -69.02 -30.22 26.08 Favored 'Trans proline' 0 CA--C 1.582 2.918 0 CA-C-N 122.819 2.042 . . . . 0.0 117.394 151.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -80.49 -51.64 8.56 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -167.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.4 p -156.35 -45.52 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.497 0 C-N-CA 124.213 1.005 . . . . 0.0 112.304 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 CA--C 1.566 1.59 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 176.24 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 92.8 m . . . . . 0 CA--C 1.585 2.327 0 CA-C-O 117.897 -1.049 . . . . 0.0 112.903 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -60.05 -32.73 95.24 Favored 'Trans proline' 0 CA--C 1.577 2.627 0 CA-C-N 123.777 2.385 . . . . 0.0 117.152 163.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.46 -67.84 0.9 Allowed 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 125.914 1.686 . . . . 0.0 110.267 -176.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 p -151.95 114.66 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.785 0 C-N-CA 124.022 0.929 . . . . 0.0 108.532 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.255 15.7 p . . . . . 0 C--O 1.261 1.668 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 152.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.58 2.12 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -63.57 -39.15 37.24 Favored 'Trans proline' 0 CA--C 1.576 2.619 0 N-CA-C 117.86 2.215 . . . . 0.0 117.86 158.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -97.06 -55.3 2.9 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -158.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.42 -2.1 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.446 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 -173.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.256 1.438 0 O-C-N 120.938 -1.101 . . . . 0.0 110.335 -175.281 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.539 ' H1 ' ' C ' ' A' ' 5' ' ' CYS . 12.8 p . . . . . 0 CA--C 1.578 2.05 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.49 -30.52 79.95 Favored 'Trans proline' 0 CA--C 1.574 2.502 0 N-CA-C 118.958 2.638 . . . . 0.0 118.958 163.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -88.77 -78.25 0.35 Allowed 'General case' 0 CA--C 1.574 1.87 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -161.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.0 p -154.45 48.76 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.345 0 C-N-CA 124.792 1.237 . . . . 0.0 110.462 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.539 ' C ' ' H1 ' ' A' ' 1' ' ' CYS . 5.9 p . . . . . 0 CA--C 1.566 1.592 0 O-C-N 119.991 -1.693 . . . . 0.0 109.939 -161.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.419 ' H1 ' ' C ' ' A' ' 5' ' ' CYS . 18.5 m . . . . . 0 CA--C 1.577 1.982 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.18 -31.36 89.95 Favored 'Trans proline' 0 CA--C 1.575 2.556 0 N-CA-C 118.22 2.354 . . . . 0.0 118.22 159.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -98.01 -60.97 1.45 Allowed 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -163.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 p -158.47 10.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.589 2.478 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -164.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.419 ' C ' ' H1 ' ' A' ' 1' ' ' CYS . 17.2 p . . . . . 0 C--O 1.254 1.33 0 O-C-N 120.103 -1.623 . . . . 0.0 109.233 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.4 m . . . . . 0 CA--C 1.579 2.09 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.61 -32.31 12.16 Favored 'Trans proline' 0 CA--C 1.581 2.86 0 N-CA-C 117.394 2.036 . . . . 0.0 117.394 154.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -82.51 -48.7 10.73 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 -167.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.9 p -154.48 -45.44 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.53 0 C-N-CA 123.892 0.877 . . . . 0.0 112.629 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 C--O 1.259 1.571 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 177.537 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.472 ' H1 ' ' C ' ' A' ' 5' ' ' CYS . 5.9 p . . . . . 0 CA--C 1.582 2.193 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -70.27 -38.9 6.1 Favored 'Trans proline' 0 CA--C 1.574 2.515 0 N-CA-C 118.447 2.441 . . . . 0.0 118.447 157.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -73.25 -79.51 0.08 Allowed 'General case' 0 CA--C 1.576 1.971 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -159.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.52 49.32 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.653 0 CA-C-O 122.347 1.07 . . . . 0.0 110.021 169.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.472 ' C ' ' H1 ' ' A' ' 1' ' ' CYS . 5.9 p . . . . . 0 CA--C 1.565 1.55 0 O-C-N 120.271 -1.518 . . . . 0.0 110.799 -158.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.407 ' SG ' ' OXT' ' A' ' 5' ' ' CYS . 34.1 m . . . . . 0 CA--C 1.579 2.081 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.876 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -58.91 -33.54 98.69 Favored 'Trans proline' 0 CA--C 1.577 2.658 0 N-CA-C 117.574 2.106 . . . . 0.0 117.574 154.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -82.61 -88.59 0.09 Allowed 'General case' 0 CA--C 1.57 1.739 0 C-N-CA 124.452 1.101 . . . . 0.0 111.637 -167.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -155.71 71.69 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 CA-C-O 122.586 1.184 . . . . 0.0 109.324 161.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.407 ' OXT' ' SG ' ' A' ' 1' ' ' CYS . 9.5 p . . . . . 0 C--O 1.255 1.371 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 165.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.488 ' H3 ' ' C ' ' A' ' 5' ' ' CYS . 6.3 m . . . . . 0 CA--C 1.58 2.128 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -67.34 -37.04 18.81 Favored 'Trans proline' 0 CA--C 1.575 2.545 0 C-N-CA 122.377 2.052 . . . . 0.0 117.341 163.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -96.87 -43.84 7.31 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -161.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.9 p -150.32 -54.12 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 C-N-CA 123.702 0.801 . . . . 0.0 112.676 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.488 ' C ' ' H3 ' ' A' ' 1' ' ' CYS . 27.9 p . . . . . 0 C--O 1.257 1.492 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 CA--C 1.58 2.109 0 CA-C-O 119.499 -0.286 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -64.65 -38.83 29.8 Favored 'Trans proline' 0 CA--C 1.578 2.722 0 N-CA-C 117.365 2.025 . . . . 0.0 117.365 158.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -100.54 -44.23 5.93 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 -158.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.3 p -151.48 -46.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-N 119.117 0.872 . . . . 0.0 113.083 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.9 p . . . . . 0 CA--C 1.564 1.504 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 176.172 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.5 m . . . . . 0 CA--C 1.58 2.105 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.27 -37.72 48.74 Favored 'Trans proline' 0 CA--C 1.574 2.521 0 N-CA-C 117.852 2.212 . . . . 0.0 117.852 161.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -96.2 -44.36 7.31 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 -160.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.9 -53.76 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 C-N-CA 123.666 0.786 . . . . 0.0 112.719 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 CA--C 1.559 1.326 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -178.522 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 38.5 m . . . . . 0 CA--C 1.578 2.045 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -69.02 -30.22 26.08 Favored 'Trans proline' 0 CA--C 1.582 2.918 0 CA-C-N 122.819 2.042 . . . . 0.0 117.394 151.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -80.49 -51.64 8.56 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -167.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.4 p -156.35 -45.52 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.497 0 C-N-CA 124.213 1.005 . . . . 0.0 112.304 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 CA--C 1.566 1.59 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 176.24 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 92.8 m . . . . . 0 CA--C 1.585 2.327 0 CA-C-O 117.897 -1.049 . . . . 0.0 112.903 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -60.05 -32.73 95.24 Favored 'Trans proline' 0 CA--C 1.577 2.627 0 CA-C-N 123.777 2.385 . . . . 0.0 117.152 163.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.46 -67.84 0.9 Allowed 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 125.914 1.686 . . . . 0.0 110.267 -176.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 p -151.95 114.66 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.785 0 C-N-CA 124.022 0.929 . . . . 0.0 108.532 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.255 15.7 p . . . . . 0 C--O 1.261 1.668 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 152.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.58 2.12 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -63.57 -39.15 37.24 Favored 'Trans proline' 0 CA--C 1.576 2.619 0 N-CA-C 117.86 2.215 . . . . 0.0 117.86 158.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -97.06 -55.3 2.9 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -158.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.42 -2.1 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.446 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 -173.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.256 1.438 0 O-C-N 120.938 -1.101 . . . . 0.0 110.335 -175.281 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 12.8 p . . . . . 0 CA--C 1.578 2.05 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.49 -30.52 79.95 Favored 'Trans proline' 0 CA--C 1.574 2.502 0 N-CA-C 118.958 2.638 . . . . 0.0 118.958 163.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -88.77 -78.25 0.35 Allowed 'General case' 0 CA--C 1.574 1.87 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -161.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.0 p -154.45 48.76 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.345 0 C-N-CA 124.792 1.237 . . . . 0.0 110.462 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.566 1.592 0 O-C-N 119.991 -1.693 . . . . 0.0 109.939 -161.869 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 5' ' ' CYS . 18.5 m . . . . . 0 CA--C 1.577 1.982 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.18 -31.36 89.95 Favored 'Trans proline' 0 CA--C 1.575 2.556 0 N-CA-C 118.22 2.354 . . . . 0.0 118.22 159.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -98.01 -60.97 1.45 Allowed 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -163.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 p -158.47 10.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.589 2.478 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -164.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 17.2 p . . . . . 0 C--O 1.254 1.33 0 O-C-N 120.103 -1.623 . . . . 0.0 109.233 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.4 m . . . . . 0 CA--C 1.579 2.09 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.61 -32.31 12.16 Favored 'Trans proline' 0 CA--C 1.581 2.86 0 N-CA-C 117.394 2.036 . . . . 0.0 117.394 154.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -82.51 -48.7 10.73 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 -167.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.9 p -154.48 -45.44 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.53 0 C-N-CA 123.892 0.877 . . . . 0.0 112.629 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 C--O 1.259 1.571 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 177.537 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.582 2.193 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -70.27 -38.9 6.1 Favored 'Trans proline' 0 CA--C 1.574 2.515 0 N-CA-C 118.447 2.441 . . . . 0.0 118.447 157.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -73.25 -79.51 0.08 Allowed 'General case' 0 CA--C 1.576 1.971 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -159.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.52 49.32 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.653 0 CA-C-O 122.347 1.07 . . . . 0.0 110.021 169.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.565 1.55 0 O-C-N 120.271 -1.518 . . . . 0.0 110.799 -158.514 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' CYS . . . . . 0.407 ' SG ' ' OXT' ' A' ' 5' ' ' CYS . 34.1 m . . . . . 0 CA--C 1.579 2.081 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.876 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -58.91 -33.54 98.69 Favored 'Trans proline' 0 CA--C 1.577 2.658 0 N-CA-C 117.574 2.106 . . . . 0.0 117.574 154.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -82.61 -88.59 0.09 Allowed 'General case' 0 CA--C 1.57 1.739 0 C-N-CA 124.452 1.101 . . . . 0.0 111.637 -167.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -155.71 71.69 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 CA-C-O 122.586 1.184 . . . . 0.0 109.324 161.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.407 ' OXT' ' SG ' ' A' ' 1' ' ' CYS . 9.5 p . . . . . 0 C--O 1.255 1.371 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 165.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.3 m . . . . . 0 CA--C 1.58 2.128 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -67.34 -37.04 18.81 Favored 'Trans proline' 0 CA--C 1.575 2.545 0 C-N-CA 122.377 2.052 . . . . 0.0 117.341 163.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -96.87 -43.84 7.31 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -161.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.9 p -150.32 -54.12 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 C-N-CA 123.702 0.801 . . . . 0.0 112.676 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 C--O 1.257 1.492 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -178.311 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 CA--C 1.58 2.109 0 CA-C-O 119.499 -0.286 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -64.65 -38.83 29.8 Favored 'Trans proline' 0 CA--C 1.578 2.722 0 N-CA-C 117.365 2.025 . . . . 0.0 117.365 158.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -100.54 -44.23 5.93 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 -158.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.3 p -151.48 -46.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-N 119.117 0.872 . . . . 0.0 113.083 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.9 p . . . . . 0 CA--C 1.564 1.504 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 176.172 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.5 m . . . . . 0 CA--C 1.58 2.105 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.27 -37.72 48.74 Favored 'Trans proline' 0 CA--C 1.574 2.521 0 N-CA-C 117.852 2.212 . . . . 0.0 117.852 161.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -96.2 -44.36 7.31 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 -160.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.9 -53.76 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 C-N-CA 123.666 0.786 . . . . 0.0 112.719 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 CA--C 1.559 1.326 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -178.522 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 38.5 m . . . . . 0 CA--C 1.578 2.045 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -69.02 -30.22 26.08 Favored 'Trans proline' 0 CA--C 1.582 2.918 0 CA-C-N 122.819 2.042 . . . . 0.0 117.394 151.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -80.49 -51.64 8.56 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -167.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.4 p -156.35 -45.52 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.497 0 C-N-CA 124.213 1.005 . . . . 0.0 112.304 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 CA--C 1.566 1.59 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 176.24 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 92.8 m . . . . . 0 CA--C 1.585 2.327 0 CA-C-O 117.897 -1.049 . . . . 0.0 112.903 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -60.05 -32.73 95.24 Favored 'Trans proline' 0 CA--C 1.577 2.627 0 CA-C-N 123.777 2.385 . . . . 0.0 117.152 163.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.46 -67.84 0.9 Allowed 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 125.914 1.686 . . . . 0.0 110.267 -176.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 p -151.95 114.66 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.785 0 C-N-CA 124.022 0.929 . . . . 0.0 108.532 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.255 15.7 p . . . . . 0 C--O 1.261 1.668 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 152.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.58 2.12 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -63.57 -39.15 37.24 Favored 'Trans proline' 0 CA--C 1.576 2.619 0 N-CA-C 117.86 2.215 . . . . 0.0 117.86 158.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -97.06 -55.3 2.9 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -158.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.42 -2.1 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.446 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 -173.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.256 1.438 0 O-C-N 120.938 -1.101 . . . . 0.0 110.335 -175.281 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 12.8 p . . . . . 0 CA--C 1.578 2.05 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.49 -30.52 79.95 Favored 'Trans proline' 0 CA--C 1.574 2.502 0 N-CA-C 118.958 2.638 . . . . 0.0 118.958 163.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -88.77 -78.25 0.35 Allowed 'General case' 0 CA--C 1.574 1.87 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -161.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.0 p -154.45 48.76 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.345 0 C-N-CA 124.792 1.237 . . . . 0.0 110.462 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.566 1.592 0 O-C-N 119.991 -1.693 . . . . 0.0 109.939 -161.869 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 5' ' ' CYS . 18.5 m . . . . . 0 CA--C 1.577 1.982 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.18 -31.36 89.95 Favored 'Trans proline' 0 CA--C 1.575 2.556 0 N-CA-C 118.22 2.354 . . . . 0.0 118.22 159.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -98.01 -60.97 1.45 Allowed 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -163.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 p -158.47 10.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.589 2.478 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -164.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 17.2 p . . . . . 0 C--O 1.254 1.33 0 O-C-N 120.103 -1.623 . . . . 0.0 109.233 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.4 m . . . . . 0 CA--C 1.579 2.09 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.61 -32.31 12.16 Favored 'Trans proline' 0 CA--C 1.581 2.86 0 N-CA-C 117.394 2.036 . . . . 0.0 117.394 154.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -82.51 -48.7 10.73 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 -167.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.9 p -154.48 -45.44 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.53 0 C-N-CA 123.892 0.877 . . . . 0.0 112.629 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 C--O 1.259 1.571 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 177.537 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.582 2.193 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -70.27 -38.9 6.1 Favored 'Trans proline' 0 CA--C 1.574 2.515 0 N-CA-C 118.447 2.441 . . . . 0.0 118.447 157.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -73.25 -79.51 0.08 Allowed 'General case' 0 CA--C 1.576 1.971 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -159.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.52 49.32 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.653 0 CA-C-O 122.347 1.07 . . . . 0.0 110.021 169.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.565 1.55 0 O-C-N 120.271 -1.518 . . . . 0.0 110.799 -158.514 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.407 ' SG ' ' OXT' ' A' ' 5' ' ' CYS . 34.1 m . . . . . 0 CA--C 1.579 2.081 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.876 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -58.91 -33.54 98.69 Favored 'Trans proline' 0 CA--C 1.577 2.658 0 N-CA-C 117.574 2.106 . . . . 0.0 117.574 154.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -82.61 -88.59 0.09 Allowed 'General case' 0 CA--C 1.57 1.739 0 C-N-CA 124.452 1.101 . . . . 0.0 111.637 -167.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -155.71 71.69 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 CA-C-O 122.586 1.184 . . . . 0.0 109.324 161.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.407 ' OXT' ' SG ' ' A' ' 1' ' ' CYS . 9.5 p . . . . . 0 C--O 1.255 1.371 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 165.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.3 m . . . . . 0 CA--C 1.58 2.128 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -67.34 -37.04 18.81 Favored 'Trans proline' 0 CA--C 1.575 2.545 0 C-N-CA 122.377 2.052 . . . . 0.0 117.341 163.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -96.87 -43.84 7.31 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -161.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.9 p -150.32 -54.12 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 C-N-CA 123.702 0.801 . . . . 0.0 112.676 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 C--O 1.257 1.492 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -178.311 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 CA--C 1.58 2.109 0 CA-C-O 119.499 -0.286 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -64.65 -38.83 29.8 Favored 'Trans proline' 0 CA--C 1.578 2.722 0 N-CA-C 117.365 2.025 . . . . 0.0 117.365 158.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -100.54 -44.23 5.93 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 -158.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.3 p -151.48 -46.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-N 119.117 0.872 . . . . 0.0 113.083 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.9 p . . . . . 0 CA--C 1.564 1.504 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 176.172 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.5 m . . . . . 0 CA--C 1.58 2.105 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.27 -37.72 48.74 Favored 'Trans proline' 0 CA--C 1.574 2.521 0 N-CA-C 117.852 2.212 . . . . 0.0 117.852 161.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -96.2 -44.36 7.31 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 -160.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.9 -53.76 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 C-N-CA 123.666 0.786 . . . . 0.0 112.719 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 CA--C 1.559 1.326 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -178.522 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 38.5 m . . . . . 0 CA--C 1.578 2.045 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -69.02 -30.22 26.08 Favored 'Trans proline' 0 CA--C 1.582 2.918 0 CA-C-N 122.819 2.042 . . . . 0.0 117.394 151.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -80.49 -51.64 8.56 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -167.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.4 p -156.35 -45.52 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.497 0 C-N-CA 124.213 1.005 . . . . 0.0 112.304 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 CA--C 1.566 1.59 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 176.24 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 92.8 m . . . . . 0 CA--C 1.585 2.327 0 CA-C-O 117.897 -1.049 . . . . 0.0 112.903 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -60.05 -32.73 95.24 Favored 'Trans proline' 0 CA--C 1.577 2.627 0 CA-C-N 123.777 2.385 . . . . 0.0 117.152 163.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.46 -67.84 0.9 Allowed 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 125.914 1.686 . . . . 0.0 110.267 -176.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 p -151.95 114.66 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.785 0 C-N-CA 124.022 0.929 . . . . 0.0 108.532 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.255 15.7 p . . . . . 0 C--O 1.261 1.668 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 152.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.58 2.12 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -63.57 -39.15 37.24 Favored 'Trans proline' 0 CA--C 1.576 2.619 0 N-CA-C 117.86 2.215 . . . . 0.0 117.86 158.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -97.06 -55.3 2.9 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -158.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.42 -2.1 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.446 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 -173.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.256 1.438 0 O-C-N 120.938 -1.101 . . . . 0.0 110.335 -175.281 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 12.8 p . . . . . 0 CA--C 1.578 2.05 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.49 -30.52 79.95 Favored 'Trans proline' 0 CA--C 1.574 2.502 0 N-CA-C 118.958 2.638 . . . . 0.0 118.958 163.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -88.77 -78.25 0.35 Allowed 'General case' 0 CA--C 1.574 1.87 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -161.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.0 p -154.45 48.76 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.345 0 C-N-CA 124.792 1.237 . . . . 0.0 110.462 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.566 1.592 0 O-C-N 119.991 -1.693 . . . . 0.0 109.939 -161.869 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 5' ' ' CYS . 18.5 m . . . . . 0 CA--C 1.577 1.982 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.18 -31.36 89.95 Favored 'Trans proline' 0 CA--C 1.575 2.556 0 N-CA-C 118.22 2.354 . . . . 0.0 118.22 159.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -98.01 -60.97 1.45 Allowed 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -163.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 p -158.47 10.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.589 2.478 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -164.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 17.2 p . . . . . 0 C--O 1.254 1.33 0 O-C-N 120.103 -1.623 . . . . 0.0 109.233 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.4 m . . . . . 0 CA--C 1.579 2.09 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.61 -32.31 12.16 Favored 'Trans proline' 0 CA--C 1.581 2.86 0 N-CA-C 117.394 2.036 . . . . 0.0 117.394 154.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -82.51 -48.7 10.73 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 -167.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.9 p -154.48 -45.44 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.53 0 C-N-CA 123.892 0.877 . . . . 0.0 112.629 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 C--O 1.259 1.571 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 177.537 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.582 2.193 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -70.27 -38.9 6.1 Favored 'Trans proline' 0 CA--C 1.574 2.515 0 N-CA-C 118.447 2.441 . . . . 0.0 118.447 157.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -73.25 -79.51 0.08 Allowed 'General case' 0 CA--C 1.576 1.971 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -159.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.52 49.32 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.653 0 CA-C-O 122.347 1.07 . . . . 0.0 110.021 169.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.565 1.55 0 O-C-N 120.271 -1.518 . . . . 0.0 110.799 -158.514 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . 0.407 ' SG ' ' OXT' ' A' ' 5' ' ' CYS . 34.1 m . . . . . 0 CA--C 1.579 2.081 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.876 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -58.91 -33.54 98.69 Favored 'Trans proline' 0 CA--C 1.577 2.658 0 N-CA-C 117.574 2.106 . . . . 0.0 117.574 154.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -82.61 -88.59 0.09 Allowed 'General case' 0 CA--C 1.57 1.739 0 C-N-CA 124.452 1.101 . . . . 0.0 111.637 -167.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -155.71 71.69 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 CA-C-O 122.586 1.184 . . . . 0.0 109.324 161.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.407 ' OXT' ' SG ' ' A' ' 1' ' ' CYS . 9.5 p . . . . . 0 C--O 1.255 1.371 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 165.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.3 m . . . . . 0 CA--C 1.58 2.128 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -67.34 -37.04 18.81 Favored 'Trans proline' 0 CA--C 1.575 2.545 0 C-N-CA 122.377 2.052 . . . . 0.0 117.341 163.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -96.87 -43.84 7.31 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -161.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.9 p -150.32 -54.12 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 C-N-CA 123.702 0.801 . . . . 0.0 112.676 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 C--O 1.257 1.492 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -178.311 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 CA--C 1.58 2.109 0 CA-C-O 119.499 -0.286 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -64.65 -38.83 29.8 Favored 'Trans proline' 0 CA--C 1.578 2.722 0 N-CA-C 117.365 2.025 . . . . 0.0 117.365 158.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -100.54 -44.23 5.93 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 -158.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.3 p -151.48 -46.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-N 119.117 0.872 . . . . 0.0 113.083 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.9 p . . . . . 0 CA--C 1.564 1.504 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 176.172 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.5 m . . . . . 0 CA--C 1.58 2.105 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.27 -37.72 48.74 Favored 'Trans proline' 0 CA--C 1.574 2.521 0 N-CA-C 117.852 2.212 . . . . 0.0 117.852 161.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -96.2 -44.36 7.31 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 -160.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.6 p -150.9 -53.76 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 C-N-CA 123.666 0.786 . . . . 0.0 112.719 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 CA--C 1.559 1.326 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 -178.522 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 38.5 m . . . . . 0 CA--C 1.578 2.045 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -69.02 -30.22 26.08 Favored 'Trans proline' 0 CA--C 1.582 2.918 0 CA-C-N 122.819 2.042 . . . . 0.0 117.394 151.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -80.49 -51.64 8.56 Favored 'General case' 0 CA--C 1.575 1.932 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -167.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.4 p -156.35 -45.52 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.497 0 C-N-CA 124.213 1.005 . . . . 0.0 112.304 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 CA--C 1.566 1.59 0 N-CA-C 115.087 1.514 . . . . 0.0 115.087 176.24 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 92.8 m . . . . . 0 CA--C 1.585 2.327 0 CA-C-O 117.897 -1.049 . . . . 0.0 112.903 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -60.05 -32.73 95.24 Favored 'Trans proline' 0 CA--C 1.577 2.627 0 CA-C-N 123.777 2.385 . . . . 0.0 117.152 163.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -105.46 -67.84 0.9 Allowed 'General case' 0 CA--C 1.569 1.676 0 C-N-CA 125.914 1.686 . . . . 0.0 110.267 -176.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 p -151.95 114.66 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.785 0 C-N-CA 124.022 0.929 . . . . 0.0 108.532 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . 0.255 15.7 p . . . . . 0 C--O 1.261 1.668 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 152.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.58 2.12 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -63.57 -39.15 37.24 Favored 'Trans proline' 0 CA--C 1.576 2.619 0 N-CA-C 117.86 2.215 . . . . 0.0 117.86 158.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -97.06 -55.3 2.9 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 115.402 1.63 . . . . 0.0 115.402 -158.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 p -147.42 -2.1 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.446 0 N-CA-C 115.633 1.716 . . . . 0.0 115.633 -173.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.256 1.438 0 O-C-N 120.938 -1.101 . . . . 0.0 110.335 -175.281 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 12.8 p . . . . . 0 CA--C 1.578 2.05 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.49 -30.52 79.95 Favored 'Trans proline' 0 CA--C 1.574 2.502 0 N-CA-C 118.958 2.638 . . . . 0.0 118.958 163.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -88.77 -78.25 0.35 Allowed 'General case' 0 CA--C 1.574 1.87 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 -161.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.0 p -154.45 48.76 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.506 2.345 0 C-N-CA 124.792 1.237 . . . . 0.0 110.462 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.566 1.592 0 O-C-N 119.991 -1.693 . . . . 0.0 109.939 -161.869 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 5' ' ' CYS . 18.5 m . . . . . 0 CA--C 1.577 1.982 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.18 -31.36 89.95 Favored 'Trans proline' 0 CA--C 1.575 2.556 0 N-CA-C 118.22 2.354 . . . . 0.0 118.22 159.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -98.01 -60.97 1.45 Allowed 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -163.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.0 p -158.47 10.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.589 2.478 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 -164.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 17.2 p . . . . . 0 C--O 1.254 1.33 0 O-C-N 120.103 -1.623 . . . . 0.0 109.233 -179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 32.4 m . . . . . 0 CA--C 1.579 2.09 0 CA-C-O 119.09 -0.481 . . . . 0.0 110.775 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -71.61 -32.31 12.16 Favored 'Trans proline' 0 CA--C 1.581 2.86 0 N-CA-C 117.394 2.036 . . . . 0.0 117.394 154.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -82.51 -48.7 10.73 Favored 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 -167.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.9 p -154.48 -45.44 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.51 2.53 0 C-N-CA 123.892 0.877 . . . . 0.0 112.629 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 24.9 p . . . . . 0 C--O 1.259 1.571 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 177.537 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.582 2.193 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -70.27 -38.9 6.1 Favored 'Trans proline' 0 CA--C 1.574 2.515 0 N-CA-C 118.447 2.441 . . . . 0.0 118.447 157.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -73.25 -79.51 0.08 Allowed 'General case' 0 CA--C 1.576 1.971 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -159.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.52 49.32 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.653 0 CA-C-O 122.347 1.07 . . . . 0.0 110.021 169.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.565 1.55 0 O-C-N 120.271 -1.518 . . . . 0.0 110.799 -158.514 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.407 ' SG ' ' OXT' ' A' ' 5' ' ' CYS . 34.1 m . . . . . 0 CA--C 1.579 2.081 0 CA-C-O 118.555 -0.736 . . . . 0.0 112.876 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -58.91 -33.54 98.69 Favored 'Trans proline' 0 CA--C 1.577 2.658 0 N-CA-C 117.574 2.106 . . . . 0.0 117.574 154.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -82.61 -88.59 0.09 Allowed 'General case' 0 CA--C 1.57 1.739 0 C-N-CA 124.452 1.101 . . . . 0.0 111.637 -167.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 p -155.71 71.69 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 CA-C-O 122.586 1.184 . . . . 0.0 109.324 161.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.407 ' OXT' ' SG ' ' A' ' 1' ' ' CYS . 9.5 p . . . . . 0 C--O 1.255 1.371 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 165.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.3 m . . . . . 0 CA--C 1.58 2.128 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -67.34 -37.04 18.81 Favored 'Trans proline' 0 CA--C 1.575 2.545 0 C-N-CA 122.377 2.052 . . . . 0.0 117.341 163.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -96.87 -43.84 7.31 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 115.625 1.713 . . . . 0.0 115.625 -161.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.9 p -150.32 -54.12 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 C-N-CA 123.702 0.801 . . . . 0.0 112.676 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 C--O 1.257 1.492 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -178.311 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 60.5 m . . . . . 0 CA--C 1.58 2.109 0 CA-C-O 119.499 -0.286 . . . . 0.0 111.433 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -64.65 -38.83 29.8 Favored 'Trans proline' 0 CA--C 1.578 2.722 0 N-CA-C 117.365 2.025 . . . . 0.0 117.365 158.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -100.54 -44.23 5.93 Favored 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 -158.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.3 p -151.48 -46.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.404 0 CA-C-N 119.117 0.872 . . . . 0.0 113.083 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.9 p . . . . . 0 CA--C 1.564 1.504 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 176.172 . . . . . . . . 0 0 . 1 stop_ save_