data_5us3_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 5us3 _Structure_validation_residue.Date_analyzed 2017-05-26 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 ' 4' ' ' CYS . . . . . 0.756 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 7.0 t . . . . . 0 N--CA 1.442 -0.842 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -91.06 -20.12 0.83 Allowed 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.799 2.999 . . . . 0.0 116.645 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.418 ' HG3' ' ND1' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -131.32 -15.74 3.19 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -176.743 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.756 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -135.77 130.99 18.94 Favored Pre-proline 0 C--O 1.221 -0.435 0 CA-C-O 121.056 0.455 . . . . 0.0 111.816 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -45.12 25.9 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.253 1 C-N-CA 126.103 4.535 . . . . 0.0 117.174 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.425 -1.703 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 176.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t60 . . . . . 0 N--CA 1.469 0.521 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.762 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 15.1 tp -79.08 -35.06 43.02 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 119.289 -0.386 . . . . 0.0 111.583 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.544 ' O ' HG13 ' A' ' 21' ' ' ILE . 62.3 m . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.88 ' O ' ' HB ' ' A' ' 23' ' ' THR . 71.9 t60 . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.592 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp . . . . . 0 C--N 1.314 -0.956 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.27 -177.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.88 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.4 m . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.592 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 13.3 m-70 . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 122.941 1.353 . . . . 0.0 109.295 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.615 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 8.0 t . . . . . 0 N--CA 1.444 -0.768 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 1.5 Cg_endo -88.17 -21.33 1.61 Allowed 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.657 2.905 . . . . 0.0 116.124 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.36 -19.91 3.77 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.615 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.7 p -137.26 116.46 10.26 Favored Pre-proline 0 N--CA 1.472 0.652 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.19 43.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.366 1.478 1 C-N-CA 125.33 4.02 . . . . 0.0 115.687 -179.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 7' ' ' CYS . 3.3 tmtt? . . . . . 0 CA--C 1.536 0.442 0 CA-C-O 118.899 -0.572 . . . . 0.0 111.503 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.5 m80 . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 111.412 0.153 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.75 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 14.9 tp -74.12 -35.04 64.1 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 123.354 0.408 . . . . 0.0 111.45 177.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.569 ' O ' HG13 ' A' ' 21' ' ' ILE . 74.3 m . . . . . 0 N--CA 1.47 0.542 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.866 ' O ' ' HB ' ' A' ' 23' ' ' THR . 71.8 t60 . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.581 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp . . . . . 0 C--N 1.316 -0.89 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.21 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.866 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.0 m . . . . . 0 N--CA 1.47 0.526 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.581 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 15.2 m-70 . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 122.813 1.292 . . . . 0.0 109.186 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.6 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 14.5 t . . . . . 0 N--CA 1.441 -0.901 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.472 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 0.4 OUTLIER -90.26 -20.26 1.07 Allowed 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.762 2.975 . . . . 0.0 116.103 -178.66 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.644 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 34.5 tt0 -124.47 -22.55 4.63 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -176.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.6 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.3 p -139.1 120.19 9.83 Favored Pre-proline 0 N--CA 1.472 0.663 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.24 44.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 125.201 3.934 . . . . 0.0 115.343 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 17.9 tptt . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 118.692 -0.67 . . . . 0.0 111.762 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.754 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 14.3 tp -75.73 -35.74 60.14 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 123.371 0.419 . . . . 0.0 111.367 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.542 ' O ' HG13 ' A' ' 21' ' ' ILE . 69.3 m . . . . . 0 N--CA 1.47 0.552 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.849 ' O ' ' HB ' ' A' ' 23' ' ' THR . 73.9 t60 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.601 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.278 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.849 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 1.9 m . . . . . 0 N--CA 1.472 0.625 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.644 ' CE1' ' HB3' ' A' ' 6' ' ' GLU . 13.8 m-70 . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 123.022 1.391 . . . . 0.0 109.234 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.629 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 9.7 t . . . . . 0 N--CA 1.444 -0.76 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.476 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 0.9 OUTLIER -88.45 -21.57 1.45 Allowed 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.721 2.948 . . . . 0.0 116.036 -178.676 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.74 -19.41 4.11 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -177.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.629 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.7 p -138.96 117.04 9.0 Favored Pre-proline 0 N--CA 1.472 0.643 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.01 45.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 125.089 3.86 . . . . 0.0 115.206 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 7' ' ' CYS . 20.3 tptt . . . . . 0 CA--C 1.538 0.514 0 CA-C-O 118.585 -0.721 . . . . 0.0 111.918 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 . . . . . 0 N--CA 1.466 0.374 0 N-CA-C 111.061 0.022 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.748 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 17.6 tp -78.86 -37.07 41.24 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 123.44 0.463 . . . . 0.0 111.423 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.551 ' O ' HG13 ' A' ' 21' ' ' ILE . 48.0 t . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.862 ' O ' ' HB ' ' A' ' 23' ' ' THR . 73.5 t60 . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.576 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp . . . . . 0 C--N 1.317 -0.844 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.862 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.0 m . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.576 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 12.5 m-70 . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 122.983 1.373 . . . . 0.0 109.114 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.668 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 6.5 t . . . . . 0 N--CA 1.443 -0.788 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.48 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 5.8 Cg_endo -86.8 -21.12 2.24 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.671 2.914 . . . . 0.0 116.365 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.629 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 3.2 mm-40 -128.23 -27.86 2.65 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 119.97 -0.692 . . . . 0.0 112.098 -178.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.668 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 7.3 p -132.53 108.85 13.35 Favored Pre-proline 0 N--CA 1.473 0.719 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 33.6 Cg_exo -56.86 47.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.366 1.46 0 C-N-CA 125.117 3.878 . . . . 0.0 115.994 -176.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.3 mmtt . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.786 176.775 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.5 m80 . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 119.92 -0.086 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.732 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 33.4 tp -75.83 -37.14 59.34 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 123.447 0.467 . . . . 0.0 112.007 177.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.563 ' O ' HG13 ' A' ' 21' ' ' ILE . 36.7 t . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.867 ' O ' ' HB ' ' A' ' 23' ' ' THR . 74.0 t60 . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.595 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.172 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.867 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 1.9 m . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.629 ' CE1' ' HB2' ' A' ' 6' ' ' GLU . 16.4 m-70 . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 122.95 1.357 . . . . 0.0 109.348 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.659 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 4.1 t . . . . . 0 N--CA 1.443 -0.789 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.462 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 6.9 Cg_endo -86.39 -21.18 2.46 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.717 2.945 . . . . 0.0 116.316 -178.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 2.8 mm-40 -129.44 -25.78 2.61 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 119.975 -0.69 . . . . 0.0 112.469 -178.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.659 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 3.8 p -133.02 111.34 13.15 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.8 46.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.369 1.613 1 C-N-CA 125.328 4.019 . . . . 0.0 115.727 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 7' ' ' CYS . 25.3 tptt . . . . . 0 CA--C 1.543 0.7 0 C-N-CA 123.166 0.586 . . . . 0.0 111.585 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.7 m80 . . . . . 0 N--CA 1.465 0.299 0 N-CA-C 111.289 0.107 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.742 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 40.3 tp -80.54 -38.4 29.71 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 123.432 0.457 . . . . 0.0 111.608 177.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.566 ' O ' HG13 ' A' ' 21' ' ' ILE . 33.4 t . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.863 ' O ' ' HB ' ' A' ' 23' ' ' THR . 72.6 t60 . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.587 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.9 pp . . . . . 0 C--N 1.316 -0.867 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.21 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.863 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 1.8 m . . . . . 0 N--CA 1.471 0.585 0 N-CA-C 110.549 -0.167 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.587 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 14.6 m-70 . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 122.927 1.346 . . . . 0.0 109.342 176.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.615 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 10.1 t . . . . . 0 N--CA 1.443 -0.811 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 0.4 OUTLIER -89.79 -20.91 1.12 Allowed 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.799 2.999 . . . . 0.0 115.921 -178.551 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.675 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 6.2 tp10 -122.69 -24.28 4.92 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -176.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.615 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.8 p -139.14 115.88 8.62 Favored Pre-proline 0 N--CA 1.474 0.727 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -55.89 46.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.367 1.502 0 C-N-CA 124.852 3.701 . . . . 0.0 115.157 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.1 tmtt? . . . . . 0 CA--C 1.532 0.285 0 C-N-CA 123.219 0.607 . . . . 0.0 111.542 177.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 111.25 0.093 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.744 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 17.1 tp -74.53 -35.82 63.16 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 123.486 0.491 . . . . 0.0 111.591 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.558 ' O ' HG13 ' A' ' 21' ' ' ILE . 75.3 m . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.857 ' O ' ' HB ' ' A' ' 23' ' ' THR . 75.3 t60 . . . . . 0 CA--C 1.54 0.574 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.591 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp . . . . . 0 C--N 1.317 -0.821 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.179 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.857 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.0 m . . . . . 0 N--CA 1.469 0.509 0 CA-C-O 119.716 -0.183 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.675 ' CE1' ' HB3' ' A' ' 6' ' ' GLU . 16.0 m-70 . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 122.947 1.356 . . . . 0.0 109.194 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.702 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 1.9 t . . . . . 0 N--CA 1.439 -0.982 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 2.6 Cg_endo -87.48 -21.39 1.87 Allowed 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 123.67 2.913 . . . . 0.0 116.388 -177.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.417 ' HG3' ' ND1' ' A' ' 24' ' ' HIS . 1.1 mt-10 -131.6 -18.52 2.78 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.535 -0.866 . . . . 0.0 113.217 -177.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.761 ' O ' ' N ' ' A' ' 9' ' ' LYS . 2.1 p -133.54 117.51 14.33 Favored Pre-proline 0 C--O 1.22 -0.496 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.971 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -38.74 32.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 1 C-N-CA 126.401 4.734 . . . . 0.0 117.015 -178.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.761 ' N ' ' O ' ' A' ' 7' ' ' CYS . 9.2 tptt . . . . . 0 N--CA 1.424 -1.733 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.1 t60 . . . . . 0 N--CA 1.468 0.469 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.752 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 1.5 tt -84.42 -33.74 23.65 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.586 ' O ' HG13 ' A' ' 21' ' ' ILE . 28.5 t . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.861 ' O ' ' HB ' ' A' ' 23' ' ' THR . 72.8 t60 . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 18' ' ' SER . 2.0 pp . . . . . 0 C--N 1.316 -0.854 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.157 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.861 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.1 m . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.585 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 11.9 m-70 . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 122.805 1.288 . . . . 0.0 109.223 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.624 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 5.2 t . . . . . 0 N--CA 1.445 -0.699 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.457 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 2.0 Cg_endo -87.6 -21.36 1.84 Allowed 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.729 2.953 . . . . 0.0 116.146 -178.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.17 -19.14 3.57 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -177.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.624 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.6 p -137.71 117.47 10.17 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.98 43.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.367 1.521 0 C-N-CA 125.297 3.998 . . . . 0.0 115.584 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' CYS . 19.6 tptt . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.422 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 119.656 -0.212 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.736 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 17.2 tp -76.22 -37.53 57.62 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 123.319 0.387 . . . . 0.0 111.752 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.518 ' O ' HG13 ' A' ' 21' ' ' ILE . 66.2 m . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.898 ' O ' ' HB ' ' A' ' 23' ' ' THR . 76.0 t60 . . . . . 0 CA--C 1.537 0.478 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.599 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 2.1 pp . . . . . 0 N--CA 1.441 -0.887 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.047 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.898 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.8 m . . . . . 0 N--CA 1.469 0.519 0 CA-C-O 119.806 -0.14 . . . . 0.0 111.282 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.599 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 6.8 m-70 . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 121.623 0.725 . . . . 0.0 111.283 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.3 mttt . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.351 0.12 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -81.16 150.78 28.55 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 118.738 -0.649 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MAA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.756 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 7.0 t -76.67 141.92 69.54 Favored Pre-proline 0 N--CA 1.442 -0.842 0 CA-C-N 113.675 -1.602 . . . . 0.0 113.096 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -91.06 -20.12 0.83 Allowed 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.799 2.999 . . . . 0.0 116.645 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.418 ' HG3' ' ND1' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -131.32 -15.74 3.19 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -176.743 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.756 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -135.77 130.99 18.94 Favored Pre-proline 0 C--O 1.221 -0.435 0 CA-C-O 121.056 0.455 . . . . 0.0 111.816 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.524 ' O ' ' HC2' ' A' ' 10' ' ' MMO . 89.4 Cg_exo -45.12 25.9 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.253 1 C-N-CA 126.103 4.535 . . . . 0.0 117.174 -179.629 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -98.56 99.07 10.18 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 176.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MMO . . . . . 0.524 ' HC2' ' O ' ' A' ' 8' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -109.47 -100.1 0.39 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.556 -173.005 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' NLE . . . . . 0.475 ' O ' ' HD2' ' A' ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -105.68 115.48 30.31 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.3 p -79.73 -39.79 30.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.325 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' B3D . . . . . 0.469 ' HB ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -61.34 -36.23 79.6 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.805 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.762 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 15.1 tp -79.08 -35.06 43.02 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 119.289 -0.386 . . . . 0.0 111.583 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.653 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 62.3 m -57.48 -58.03 10.06 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.88 ' O ' ' HB ' ' A' ' 23' ' ' THR . 71.9 t60 -56.88 -42.85 80.57 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -176.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.592 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp -99.23 -12.89 8.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.27 -177.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' B3K . . . . . 0.653 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.88 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.4 m -97.68 -46.99 5.78 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.592 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 13.3 m-70 -62.66 -29.9 70.98 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 122.941 1.353 . . . . 0.0 109.295 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -120.81 131.55 54.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.081 -1.418 . . . . 0.0 110.944 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -130.46 139.45 50.55 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.785 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -127.12 114.67 18.03 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.51 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 120.551 0.215 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 64.36 144.3 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.112 0.965 . . . . 0.0 112.298 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MAA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.632 ' HB3' ' CN ' ' A' ' 10' ' ' MMO . 8.0 t -71.66 144.5 88.63 Favored Pre-proline 0 N--CA 1.444 -0.768 0 CA-C-N 113.015 -1.902 . . . . 0.0 113.688 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 1.5 Cg_endo -88.17 -21.33 1.61 Allowed 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.657 2.905 . . . . 0.0 116.124 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.36 -19.91 3.77 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.615 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.7 p -137.26 116.46 10.26 Favored Pre-proline 0 N--CA 1.472 0.652 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.19 43.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.366 1.478 1 C-N-CA 125.33 4.02 . . . . 0.0 115.687 -179.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.869 ' HB3' ' HE2' ' A' ' 11' ' ' PHE . 3.3 tmtt? -70.74 -39.98 73.0 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.899 -0.572 . . . . 0.0 111.503 177.073 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MMO . . . . . 0.782 ' HC3' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.869 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -128.89 -84.74 0.57 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.268 -174.762 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -129.53 138.42 51.33 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 120.722 0.296 . . . . 0.0 110.925 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 8.8 t -90.3 -40.57 12.05 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.318 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' B3D . . . . . 0.501 ' HB ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -59.36 -38.3 80.09 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.412 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.75 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 14.9 tp -74.12 -35.04 64.1 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 123.354 0.408 . . . . 0.0 111.45 177.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.633 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 74.3 m -56.97 -56.89 15.88 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.866 ' O ' ' HB ' ' A' ' 23' ' ' THR . 71.8 t60 -56.31 -42.15 77.13 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -177.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.581 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp -99.2 -14.11 7.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.21 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' B3K . . . . . 0.633 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.866 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.0 m -98.53 -46.08 5.87 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.581 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 15.2 m-70 -63.06 -28.31 70.0 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 122.813 1.292 . . . . 0.0 109.186 176.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -96.94 148.25 23.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.306 -1.315 . . . . 0.0 110.891 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -98.44 140.6 32.46 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.717 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.55 -51.02 3.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.153 0 CA-C-N 116.689 -0.232 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 120.292 0.092 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.521 ' HA ' ' OG ' ' A' ' 14' ' ' SER . 76.3 m-85 -91.77 149.98 21.33 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.969 -0.539 . . . . 0.0 110.98 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MAA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.649 ' HB3' ' CN ' ' A' ' 10' ' ' MMO . 14.5 t -69.74 143.27 92.18 Favored Pre-proline 0 N--CA 1.441 -0.901 0 CA-C-N 113.123 -1.853 . . . . 0.0 113.299 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.472 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 0.4 OUTLIER -90.26 -20.26 1.07 Allowed 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.762 2.975 . . . . 0.0 116.103 -178.66 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.644 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 34.5 tt0 -124.47 -22.55 4.63 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -176.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.6 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.3 p -139.1 120.19 9.83 Favored Pre-proline 0 N--CA 1.472 0.663 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.24 44.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 125.201 3.934 . . . . 0.0 115.343 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.734 ' N ' ' HC3' ' A' ' 10' ' ' MMO . 17.9 tptt -73.43 -36.25 65.92 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 118.692 -0.67 . . . . 0.0 111.762 177.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MMO . . . . . 0.734 ' HC3' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.557 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -127.19 -83.37 0.61 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.22 -174.791 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' NLE . . . . . 0.466 ' O ' ' HD2' ' A' ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -128.81 136.99 51.25 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.614 0.245 . . . . 0.0 110.71 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.521 ' OG ' ' HA ' ' A' ' 2' ' ' TYR . 45.2 m -90.33 -40.97 11.78 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.595 -179.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' B3D . . . . . 0.493 ' HB ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -59.79 -37.17 78.34 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.541 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.754 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 14.3 tp -75.73 -35.74 60.14 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 123.371 0.419 . . . . 0.0 111.367 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.574 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 69.3 m -56.06 -56.22 23.38 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.849 ' O ' ' HB ' ' A' ' 23' ' ' THR . 73.9 t60 -56.26 -41.83 76.43 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -176.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.601 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp -98.91 -16.78 6.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.278 -177.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' B3K . . . . . 0.574 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.849 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 1.9 m -98.4 -46.74 5.67 Favored 'General case' 0 C--N 1.364 1.197 0 O-C-N 123.009 0.193 . . . . 0.0 110.53 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.644 ' CE1' ' HB3' ' A' ' 6' ' ' GLU . 13.8 m-70 -61.95 -28.49 69.58 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 123.022 1.391 . . . . 0.0 109.234 176.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -144.62 152.55 40.65 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.85 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -98.71 -41.41 7.7 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.146 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -121.05 115.91 24.04 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.134 0.493 . . . . 0.0 110.843 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.222 -0.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.356 0.122 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.407 ' O ' ' HB1' ' A' ' 3' ' ' MAA . 73.8 m-85 -96.71 150.61 20.5 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.953 -0.546 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MAA . . . . . 0.407 ' HB1' ' O ' ' A' ' 2' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.629 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 9.7 t -67.66 144.47 97.59 Favored Pre-proline 0 N--CA 1.444 -0.76 0 CA-C-N 112.889 -1.96 . . . . 0.0 113.823 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.476 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 0.9 OUTLIER -88.45 -21.57 1.45 Allowed 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.721 2.948 . . . . 0.0 116.036 -178.676 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.74 -19.41 4.11 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -177.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.629 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.7 p -138.96 117.04 9.0 Favored Pre-proline 0 N--CA 1.472 0.643 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.01 45.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 125.089 3.86 . . . . 0.0 115.206 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.779 ' N ' ' HC2' ' A' ' 10' ' ' MMO . 20.3 tptt -72.65 -36.79 68.05 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.585 -0.721 . . . . 0.0 111.918 177.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MMO . . . . . 0.779 ' HC2' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.576 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -127.52 -79.4 0.59 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.829 -174.355 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -132.36 148.01 52.41 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.868 0.365 . . . . 0.0 111.486 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 51.9 p -90.61 -34.91 15.28 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.565 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -60.72 -33.37 72.8 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.061 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.748 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 17.6 tp -78.86 -37.07 41.24 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 123.44 0.463 . . . . 0.0 111.423 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.663 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 48.0 t -56.2 -56.22 23.63 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.862 ' O ' ' HB ' ' A' ' 23' ' ' THR . 73.5 t60 -55.8 -42.14 75.17 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -177.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.576 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp -98.82 -15.82 7.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' B3K . . . . . 0.663 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.862 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.0 m -98.91 -45.98 5.79 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.435 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.576 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 12.5 m-70 -62.19 -28.78 69.91 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 122.983 1.373 . . . . 0.0 109.114 176.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -104.06 153.55 20.75 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 114.121 -1.399 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -94.38 -41.72 9.26 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.354 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -124.28 115.34 20.87 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.238 0.542 . . . . 0.0 110.763 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 111.263 0.098 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -135.02 148.48 49.94 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 119.078 -0.486 . . . . 0.0 110.805 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MAA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.668 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 6.5 t -67.65 144.43 97.58 Favored Pre-proline 0 N--CA 1.443 -0.788 0 CA-C-N 112.991 -1.913 . . . . 0.0 113.948 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.48 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 5.8 Cg_endo -86.8 -21.12 2.24 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.671 2.914 . . . . 0.0 116.365 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.629 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 3.2 mm-40 -128.23 -27.86 2.65 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 119.97 -0.692 . . . . 0.0 112.098 -178.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.668 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 7.3 p -132.53 108.85 13.35 Favored Pre-proline 0 N--CA 1.473 0.719 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 33.6 Cg_exo -56.86 47.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.366 1.46 0 C-N-CA 125.117 3.878 . . . . 0.0 115.994 -176.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.923 ' N ' ' HC1' ' A' ' 10' ' ' MMO . 61.3 mmtt -69.03 -39.36 79.28 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.786 176.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MMO . . . . . 0.923 ' HC1' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.501 ' HE1' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -134.05 10.2 3.86 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 113.921 -1.49 . . . . 0.0 111.114 -175.814 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -129.51 129.33 44.39 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 23.2 t -87.56 -44.88 10.93 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.486 0.491 . . . . 0.0 111.639 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -61.53 -35.42 77.69 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.981 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.732 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 33.4 tp -75.83 -37.14 59.34 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 123.447 0.467 . . . . 0.0 112.007 177.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.613 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 36.7 t -58.63 -57.31 13.54 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.867 ' O ' ' HB ' ' A' ' 23' ' ' THR . 74.0 t60 -55.09 -43.78 74.28 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -177.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.595 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp -98.97 -13.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.172 -177.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' B3K . . . . . 0.613 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.867 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 1.9 m -98.43 -46.96 5.58 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.508 -178.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.629 ' CE1' ' HB2' ' A' ' 6' ' ' GLU . 16.4 m-70 -63.33 -27.47 69.34 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 122.95 1.357 . . . . 0.0 109.348 176.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.8 m120 64.6 122.86 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 114.194 -1.366 . . . . 0.0 111.824 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -129.49 153.3 48.12 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.015 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -95.75 -50.55 4.87 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.094 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.165 0 CA-C-N 116.691 -0.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.8 tttm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.577 0.227 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -93.57 148.24 22.27 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.041 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MAA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.659 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 4.1 t -68.14 144.9 97.3 Favored Pre-proline 0 N--CA 1.443 -0.789 0 CA-C-N 113.099 -1.864 . . . . 0.0 113.861 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.462 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 6.9 Cg_endo -86.39 -21.18 2.46 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.717 2.945 . . . . 0.0 116.316 -178.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 2.8 mm-40 -129.44 -25.78 2.61 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 119.975 -0.69 . . . . 0.0 112.469 -178.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.659 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 3.8 p -133.02 111.34 13.15 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.8 46.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.369 1.613 1 C-N-CA 125.328 4.019 . . . . 0.0 115.727 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.867 ' N ' ' HC2' ' A' ' 10' ' ' MMO . 25.3 tptt -70.46 -38.44 74.46 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.166 0.586 . . . . 0.0 111.585 177.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MMO . . . . . 0.867 ' HC2' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.0 9.3 3.27 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 113.834 -1.53 . . . . 0.0 111.274 -175.779 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -128.58 137.78 51.88 Favored 'General case' 0 C--N 1.345 0.386 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.8 m -93.97 -40.97 9.83 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.661 0.601 . . . . 0.0 111.83 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -62.93 -29.61 70.92 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 114.515 -1.221 . . . . 0.0 111.289 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.742 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 40.3 tp -80.54 -38.4 29.71 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 123.432 0.457 . . . . 0.0 111.608 177.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.595 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 33.4 t -58.35 -56.66 19.28 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 178.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.863 ' O ' ' HB ' ' A' ' 23' ' ' THR . 72.6 t60 -55.26 -43.77 74.95 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -177.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.587 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.9 pp -98.16 -14.18 7.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.21 -177.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' B3K . . . . . 0.595 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.863 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 1.8 m -98.37 -46.58 5.73 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.549 -178.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.587 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 14.6 m-70 -63.36 -27.48 69.34 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 122.927 1.346 . . . . 0.0 109.342 176.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -99.75 -43.06 6.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.201 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -106.39 145.84 31.22 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.436 0.46 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -119.23 -50.87 2.34 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.777 -0.192 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.555 0.217 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.467 ' O ' ' HB2' ' A' ' 3' ' ' MAA . 71.1 m-85 -92.24 151.43 20.34 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 118.854 -0.594 . . . . 0.0 111.131 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MAA . . . . . 0.467 ' HB2' ' O ' ' A' ' 2' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.615 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 10.1 t -68.21 144.37 96.71 Favored Pre-proline 0 N--CA 1.443 -0.811 0 CA-C-N 112.762 -2.017 . . . . 0.0 113.465 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 0.4 OUTLIER -89.79 -20.91 1.12 Allowed 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.799 2.999 . . . . 0.0 115.921 -178.551 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.675 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 6.2 tp10 -122.69 -24.28 4.92 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -176.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.615 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.8 p -139.14 115.88 8.62 Favored Pre-proline 0 N--CA 1.474 0.727 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -55.89 46.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.367 1.502 0 C-N-CA 124.852 3.701 . . . . 0.0 115.157 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.865 ' HB3' ' HE2' ' A' ' 11' ' ' PHE . 2.1 tmtt? -70.15 -40.87 74.51 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.219 0.607 . . . . 0.0 111.542 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MMO . . . . . 0.816 ' HC1' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.865 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -127.68 -78.02 0.57 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.734 -174.324 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' NLE . . . . . 0.464 ' O ' ' HD2' ' A' ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -139.13 148.62 43.48 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.493 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 31.1 t -91.4 -34.55 14.82 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.37 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' B3D . . . . . 0.505 ' HB ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -58.04 -38.08 75.58 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.25 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.744 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 17.1 tp -74.53 -35.82 63.16 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 123.486 0.491 . . . . 0.0 111.591 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.649 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 75.3 m -55.92 -56.84 15.89 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.857 ' O ' ' HB ' ' A' ' 23' ' ' THR . 75.3 t60 -55.74 -42.11 74.91 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -177.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.591 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp -99.06 -15.6 7.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.179 -177.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' B3K . . . . . 0.649 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.857 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.0 m -98.99 -46.12 5.71 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.518 -178.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.675 ' CE1' ' HB3' ' A' ' 6' ' ' GLU . 16.0 m-70 -62.37 -28.29 69.66 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 122.947 1.356 . . . . 0.0 109.194 176.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -135.34 129.52 33.57 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 114.226 -1.352 . . . . 0.0 110.664 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -111.63 140.59 46.12 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -100.0 115.63 30.15 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.544 0.212 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.46 ' O ' ' HB3' ' A' ' 3' ' ' MAA . 71.2 m-85 -89.03 150.53 22.74 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.081 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MAA . . . . . 0.46 ' HB3' ' O ' ' A' ' 2' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.702 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 1.9 t -77.89 144.37 68.19 Favored Pre-proline 0 N--CA 1.439 -0.982 0 CA-C-N 113.329 -1.76 . . . . 0.0 113.016 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 2.6 Cg_endo -87.48 -21.39 1.87 Allowed 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 123.67 2.913 . . . . 0.0 116.388 -177.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.417 ' HG3' ' ND1' ' A' ' 24' ' ' HIS . 1.1 mt-10 -131.6 -18.52 2.78 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.535 -0.866 . . . . 0.0 113.217 -177.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.761 ' O ' ' N ' ' A' ' 9' ' ' LYS . 2.1 p -133.54 117.51 14.33 Favored Pre-proline 0 C--O 1.22 -0.496 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.971 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -38.74 32.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 1 C-N-CA 126.401 4.734 . . . . 0.0 117.015 -178.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.761 ' N ' ' O ' ' A' ' 7' ' ' CYS . 9.2 tptt -90.88 107.81 19.43 Favored 'General case' 0 N--CA 1.424 -1.733 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MMO . . . . . 0.44 ' C ' ' CD2' ' A' ' 11' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.507 ' HE2' ' CB ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -152.29 135.06 15.48 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 113.349 -1.751 . . . . 0.0 107.171 -174.513 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -139.39 91.42 2.49 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.6 m -82.38 -22.48 35.43 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -176.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -60.95 -33.34 73.03 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 114.86 -1.064 . . . . 0.0 113.017 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.752 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 1.5 tt -84.42 -33.74 23.65 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.586 ' O ' HG13 ' A' ' 21' ' ' ILE . 28.5 t -59.82 -53.19 60.83 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.861 ' O ' ' HB ' ' A' ' 23' ' ' THR . 72.8 t60 -60.58 -41.49 94.77 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 18' ' ' SER . 2.0 pp -98.5 -15.32 7.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.157 -178.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' B3K . . . . . 0.559 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.861 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.1 m -98.0 -45.62 6.2 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.438 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.585 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 11.9 m-70 -62.35 -28.33 69.68 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 122.805 1.288 . . . . 0.0 109.223 176.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 63.66 131.3 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 114.329 -1.305 . . . . 0.0 112.185 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -110.1 -45.17 3.64 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.242 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -112.49 115.85 29.32 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.197 0.523 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.389 0.137 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.416 ' O ' ' HB3' ' A' ' 3' ' ' MAA . 80.1 m-85 -77.79 149.84 34.39 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 118.787 -0.625 . . . . 0.0 111.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MAA . . . . . 0.416 ' HB3' ' O ' ' A' ' 2' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.687 ' HB3' ' CN ' ' A' ' 10' ' ' MMO . 5.2 t -75.71 144.69 77.25 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 113.477 -1.692 . . . . 0.0 113.255 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.457 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 2.0 Cg_endo -87.6 -21.36 1.84 Allowed 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.729 2.953 . . . . 0.0 116.146 -178.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.17 -19.14 3.57 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -177.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.624 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.6 p -137.71 117.47 10.17 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.98 43.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.367 1.521 0 C-N-CA 125.297 3.998 . . . . 0.0 115.584 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.813 ' N ' ' HC2' ' A' ' 10' ' ' MMO . 19.6 tptt -72.39 -38.07 68.55 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.422 177.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MMO . . . . . 0.813 ' HC2' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.529 ' CE1' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -128.61 -86.78 0.56 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.226 -174.586 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' NLE . . . . . 0.465 ' O ' ' HD2' ' A' ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -125.88 137.66 53.75 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 120.678 0.275 . . . . 0.0 110.612 -178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.7 m -91.49 -40.09 11.58 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.19 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' B3D . . . . . 0.488 ' HB ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -59.31 -39.27 82.53 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.49 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.736 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 17.2 tp -76.22 -37.53 57.62 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 123.319 0.387 . . . . 0.0 111.752 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.696 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 66.2 m -55.11 -53.92 49.82 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.898 ' O ' ' HB ' ' A' ' 23' ' ' THR . 76.0 t60 -54.88 -44.72 74.32 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -177.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.599 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 2.1 pp -94.64 -26.17 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.047 -177.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' B3K . . . . . 0.696 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.898 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.8 m -98.98 -45.95 5.78 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 121.131 -0.228 . . . . 0.0 111.282 -178.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.599 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 6.8 m-70 -59.62 -28.51 67.27 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.623 0.725 . . . . 0.0 111.283 178.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 22' ' ' B3K . 2.4 m120 -92.25 -40.28 11.05 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 123.325 0.391 . . . . 0.0 111.494 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -99.8 -41.84 7.08 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.384 0.428 . . . . 0.0 111.236 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -116.25 115.77 26.57 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.203 0.525 . . . . 0.0 110.782 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.756 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 7.0 t . . . . . 0 N--CA 1.442 -0.842 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -91.06 -20.12 0.83 Allowed 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.799 2.999 . . . . 0.0 116.645 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HG3' ' ND1' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -131.32 -15.74 3.19 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -176.743 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.756 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -135.77 130.99 18.94 Favored Pre-proline 0 C--O 1.221 -0.435 0 CA-C-O 121.056 0.455 . . . . 0.0 111.816 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -45.12 25.9 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.253 1 C-N-CA 126.103 4.535 . . . . 0.0 117.174 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.425 -1.703 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 176.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t60 . . . . . 0 N--CA 1.469 0.521 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.801 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 15.1 tp -79.08 -35.06 43.02 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 119.289 -0.386 . . . . 0.0 111.583 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.546 ' O ' HG13 ' A' ' 21' ' ' ILE . 62.3 m . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.885 ' O ' ' HB ' ' A' ' 23' ' ' THR . 71.9 t60 . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.617 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp . . . . . 0 C--N 1.314 -0.956 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.27 -177.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.885 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.4 m . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.617 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 13.3 m-70 . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 122.941 1.353 . . . . 0.0 109.295 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.615 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 8.0 t . . . . . 0 N--CA 1.444 -0.768 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.464 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 1.5 Cg_endo -88.17 -21.33 1.61 Allowed 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.657 2.905 . . . . 0.0 116.124 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.36 -19.91 3.77 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.615 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.7 p -137.26 116.46 10.26 Favored Pre-proline 0 N--CA 1.472 0.652 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.19 43.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.366 1.478 1 C-N-CA 125.33 4.02 . . . . 0.0 115.687 -179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' CYS . 3.3 tmtt? . . . . . 0 CA--C 1.536 0.442 0 CA-C-O 118.899 -0.572 . . . . 0.0 111.503 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.5 m80 . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 111.412 0.153 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.788 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 14.9 tp -74.12 -35.04 64.1 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 123.354 0.408 . . . . 0.0 111.45 177.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.571 ' O ' HG13 ' A' ' 21' ' ' ILE . 74.3 m . . . . . 0 N--CA 1.47 0.542 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.875 ' O ' ' HB ' ' A' ' 23' ' ' THR . 71.8 t60 . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.596 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp . . . . . 0 C--N 1.316 -0.89 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.21 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.875 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.0 m . . . . . 0 N--CA 1.47 0.526 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.596 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 15.2 m-70 . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 122.813 1.292 . . . . 0.0 109.186 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.6 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 14.5 t . . . . . 0 N--CA 1.441 -0.901 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 0.4 OUTLIER -90.26 -20.26 1.07 Allowed 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.762 2.975 . . . . 0.0 116.103 -178.66 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.655 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 34.5 tt0 -124.47 -22.55 4.63 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -176.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.6 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.3 p -139.1 120.19 9.83 Favored Pre-proline 0 N--CA 1.472 0.663 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.24 44.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 125.201 3.934 . . . . 0.0 115.343 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 17.9 tptt . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 118.692 -0.67 . . . . 0.0 111.762 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.784 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 14.3 tp -75.73 -35.74 60.14 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 123.371 0.419 . . . . 0.0 111.367 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.544 ' O ' HG13 ' A' ' 21' ' ' ILE . 69.3 m . . . . . 0 N--CA 1.47 0.552 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.858 ' O ' ' HB ' ' A' ' 23' ' ' THR . 73.9 t60 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.62 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.278 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.858 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 1.9 m . . . . . 0 N--CA 1.472 0.625 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.655 ' CE1' ' HB3' ' A' ' 6' ' ' GLU . 13.8 m-70 . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 123.022 1.391 . . . . 0.0 109.234 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.629 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 9.7 t . . . . . 0 N--CA 1.444 -0.76 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.472 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 0.9 OUTLIER -88.45 -21.57 1.45 Allowed 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.721 2.948 . . . . 0.0 116.036 -178.676 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.74 -19.41 4.11 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -177.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.629 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.7 p -138.96 117.04 9.0 Favored Pre-proline 0 N--CA 1.472 0.643 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.01 45.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 125.089 3.86 . . . . 0.0 115.206 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 7' ' ' CYS . 20.3 tptt . . . . . 0 CA--C 1.538 0.514 0 CA-C-O 118.585 -0.721 . . . . 0.0 111.918 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 . . . . . 0 N--CA 1.466 0.374 0 N-CA-C 111.061 0.022 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.787 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 17.6 tp -78.86 -37.07 41.24 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 123.44 0.463 . . . . 0.0 111.423 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.553 ' O ' HG13 ' A' ' 21' ' ' ILE . 48.0 t . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.873 ' O ' ' HB ' ' A' ' 23' ' ' THR . 73.5 t60 . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.594 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp . . . . . 0 C--N 1.317 -0.844 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.873 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.0 m . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.594 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 12.5 m-70 . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 122.983 1.373 . . . . 0.0 109.114 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.668 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 6.5 t . . . . . 0 N--CA 1.443 -0.788 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.477 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 5.8 Cg_endo -86.8 -21.12 2.24 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.671 2.914 . . . . 0.0 116.365 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.639 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 3.2 mm-40 -128.23 -27.86 2.65 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 119.97 -0.692 . . . . 0.0 112.098 -178.247 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.668 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 7.3 p -132.53 108.85 13.35 Favored Pre-proline 0 N--CA 1.473 0.719 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 33.6 Cg_exo -56.86 47.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.366 1.46 0 C-N-CA 125.117 3.878 . . . . 0.0 115.994 -176.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 7' ' ' CYS . 61.3 mmtt . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.786 176.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.5 m80 . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 119.92 -0.086 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.774 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 33.4 tp -75.83 -37.14 59.34 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 123.447 0.467 . . . . 0.0 112.007 177.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.568 ' O ' HG13 ' A' ' 21' ' ' ILE . 36.7 t . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.874 ' O ' ' HB ' ' A' ' 23' ' ' THR . 74.0 t60 . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.172 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.874 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 1.9 m . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.639 ' CE1' ' HB2' ' A' ' 6' ' ' GLU . 16.4 m-70 . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 122.95 1.357 . . . . 0.0 109.348 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.659 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 4.1 t . . . . . 0 N--CA 1.443 -0.789 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.458 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 6.9 Cg_endo -86.39 -21.18 2.46 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.717 2.945 . . . . 0.0 116.316 -178.098 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 2.8 mm-40 -129.44 -25.78 2.61 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 119.975 -0.69 . . . . 0.0 112.469 -178.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.659 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 3.8 p -133.02 111.34 13.15 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.8 46.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.369 1.613 1 C-N-CA 125.328 4.019 . . . . 0.0 115.727 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 7' ' ' CYS . 25.3 tptt . . . . . 0 CA--C 1.543 0.7 0 C-N-CA 123.166 0.586 . . . . 0.0 111.585 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.7 m80 . . . . . 0 N--CA 1.465 0.299 0 N-CA-C 111.289 0.107 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.78 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 40.3 tp -80.54 -38.4 29.71 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 123.432 0.457 . . . . 0.0 111.608 177.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.57 ' O ' HG13 ' A' ' 21' ' ' ILE . 33.4 t . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.868 ' O ' ' HB ' ' A' ' 23' ' ' THR . 72.6 t60 . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.595 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.9 pp . . . . . 0 C--N 1.316 -0.867 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.21 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.868 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 1.8 m . . . . . 0 N--CA 1.471 0.585 0 N-CA-C 110.549 -0.167 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.595 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 14.6 m-70 . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 122.927 1.346 . . . . 0.0 109.342 176.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.615 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 10.1 t . . . . . 0 N--CA 1.443 -0.811 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.469 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 0.4 OUTLIER -89.79 -20.91 1.12 Allowed 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.799 2.999 . . . . 0.0 115.921 -178.551 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.688 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 6.2 tp10 -122.69 -24.28 4.92 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -176.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.615 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.8 p -139.14 115.88 8.62 Favored Pre-proline 0 N--CA 1.474 0.727 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -55.89 46.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.367 1.502 0 C-N-CA 124.852 3.701 . . . . 0.0 115.157 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.1 tmtt? . . . . . 0 CA--C 1.532 0.285 0 C-N-CA 123.219 0.607 . . . . 0.0 111.542 177.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 111.25 0.093 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.784 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 17.1 tp -74.53 -35.82 63.16 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 123.486 0.491 . . . . 0.0 111.591 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.56 ' O ' HG13 ' A' ' 21' ' ' ILE . 75.3 m . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.866 ' O ' ' HB ' ' A' ' 23' ' ' THR . 75.3 t60 . . . . . 0 CA--C 1.54 0.574 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.608 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp . . . . . 0 C--N 1.317 -0.821 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.179 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.866 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.0 m . . . . . 0 N--CA 1.469 0.509 0 CA-C-O 119.716 -0.183 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.688 ' CE1' ' HB3' ' A' ' 6' ' ' GLU . 16.0 m-70 . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 122.947 1.356 . . . . 0.0 109.194 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.702 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 1.9 t . . . . . 0 N--CA 1.439 -0.982 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -87.48 -21.39 1.87 Allowed 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 123.67 2.913 . . . . 0.0 116.388 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.401 ' HG3' ' ND1' ' A' ' 24' ' ' HIS . 1.1 mt-10 -131.6 -18.52 2.78 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.535 -0.866 . . . . 0.0 113.217 -177.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.77 ' O ' ' N ' ' A' ' 9' ' ' LYS . 2.1 p -133.54 117.51 14.33 Favored Pre-proline 0 C--O 1.22 -0.496 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.971 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -38.74 32.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 1 C-N-CA 126.401 4.734 . . . . 0.0 117.015 -178.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.77 ' N ' ' O ' ' A' ' 7' ' ' CYS . 9.2 tptt . . . . . 0 N--CA 1.424 -1.733 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.1 t60 . . . . . 0 N--CA 1.468 0.469 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.786 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 1.5 tt -84.42 -33.74 23.65 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.587 ' O ' HG13 ' A' ' 21' ' ' ILE . 28.5 t . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.87 ' O ' ' HB ' ' A' ' 23' ' ' THR . 72.8 t60 . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.744 HG23 HD23 ' A' ' 17' ' ' LEU . 2.0 pp . . . . . 0 C--N 1.316 -0.854 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.157 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.87 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.1 m . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.608 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 11.9 m-70 . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 122.805 1.288 . . . . 0.0 109.223 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.624 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 5.2 t . . . . . 0 N--CA 1.445 -0.699 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.453 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 2.0 Cg_endo -87.6 -21.36 1.84 Allowed 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.729 2.953 . . . . 0.0 116.146 -178.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.17 -19.14 3.57 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -177.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.624 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.6 p -137.71 117.47 10.17 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.98 43.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.367 1.521 0 C-N-CA 125.297 3.998 . . . . 0.0 115.584 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 7' ' ' CYS . 19.6 tptt . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.422 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 119.656 -0.212 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.777 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 17.2 tp -76.22 -37.53 57.62 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 123.319 0.387 . . . . 0.0 111.752 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.52 ' O ' HG13 ' A' ' 21' ' ' ILE . 66.2 m . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.906 ' O ' ' HB ' ' A' ' 23' ' ' THR . 76.0 t60 . . . . . 0 CA--C 1.537 0.478 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.619 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 2.1 pp . . . . . 0 N--CA 1.441 -0.887 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.047 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.906 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.8 m . . . . . 0 N--CA 1.469 0.519 0 CA-C-O 119.806 -0.14 . . . . 0.0 111.282 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.619 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 6.8 m-70 . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 121.623 0.725 . . . . 0.0 111.283 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.3 mttt . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.351 0.12 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.498 ' HA ' ' HM1' ' A' ' 3' ' ' MAA . 85.5 m-85 -81.16 150.78 28.55 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 118.738 -0.649 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MAA . . . . . 0.522 ' HB1' HCG2 ' A' ' 10' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.756 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 7.0 t -76.67 141.92 69.54 Favored Pre-proline 0 N--CA 1.442 -0.842 0 CA-C-N 113.675 -1.602 . . . . 0.0 113.096 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -91.06 -20.12 0.83 Allowed 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.799 2.999 . . . . 0.0 116.645 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HG3' ' ND1' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -131.32 -15.74 3.19 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -176.743 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.756 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -135.77 130.99 18.94 Favored Pre-proline 0 C--O 1.221 -0.435 0 CA-C-O 121.056 0.455 . . . . 0.0 111.816 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -45.12 25.9 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.253 1 C-N-CA 126.103 4.535 . . . . 0.0 117.174 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -98.56 99.07 10.18 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 176.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MMO . . . . . 0.522 HCG2 ' HB1' ' A' ' 3' ' ' MAA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -109.47 -100.1 0.39 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.556 -173.005 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' NLE . . . . . 0.488 ' HD2' ' O ' ' A' ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -105.68 115.48 30.31 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.3 p -79.73 -39.79 30.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.325 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' B3D . . . . . 0.458 ' HB ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -61.34 -36.23 79.6 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.805 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.801 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 15.1 tp -79.08 -35.06 43.02 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 119.289 -0.386 . . . . 0.0 111.583 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.666 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 62.3 m -57.48 -58.03 10.06 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.885 ' O ' ' HB ' ' A' ' 23' ' ' THR . 71.9 t60 -56.88 -42.85 80.57 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -176.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.617 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp -99.23 -12.89 8.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.27 -177.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' B3K . . . . . 0.666 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.885 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.4 m -97.68 -46.99 5.78 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.617 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 13.3 m-70 -62.66 -29.9 70.98 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 122.941 1.353 . . . . 0.0 109.295 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -120.81 131.55 54.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.081 -1.418 . . . . 0.0 110.944 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -130.46 139.45 50.55 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.785 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -127.12 114.67 18.03 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.51 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 120.551 0.215 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.461 ' HA ' ' HM1' ' A' ' 3' ' ' MAA . 93.0 m-85 64.36 144.3 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.112 0.965 . . . . 0.0 112.298 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MAA . . . . . 0.461 ' HM1' ' HA ' ' A' ' 2' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.674 ' HB3' ' CN ' ' A' ' 10' ' ' MMO . 8.0 t -71.66 144.5 88.63 Favored Pre-proline 0 N--CA 1.444 -0.768 0 CA-C-N 113.015 -1.902 . . . . 0.0 113.688 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.464 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 1.5 Cg_endo -88.17 -21.33 1.61 Allowed 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.657 2.905 . . . . 0.0 116.124 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.36 -19.91 3.77 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.615 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.7 p -137.26 116.46 10.26 Favored Pre-proline 0 N--CA 1.472 0.652 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.19 43.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.366 1.478 1 C-N-CA 125.33 4.02 . . . . 0.0 115.687 -179.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.931 ' N ' ' HC1' ' A' ' 10' ' ' MMO . 3.3 tmtt? -70.74 -39.98 73.0 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.899 -0.572 . . . . 0.0 111.503 177.073 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MMO . . . . . 0.931 ' HC1' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.873 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -128.89 -84.74 0.57 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.268 -174.762 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -129.53 138.42 51.33 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 120.722 0.296 . . . . 0.0 110.925 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 8.8 t -90.3 -40.57 12.05 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.318 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' B3D . . . . . 0.491 ' HB ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -59.36 -38.3 80.09 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.412 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.788 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 14.9 tp -74.12 -35.04 64.1 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 123.354 0.408 . . . . 0.0 111.45 177.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.647 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 74.3 m -56.97 -56.89 15.88 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.875 ' O ' ' HB ' ' A' ' 23' ' ' THR . 71.8 t60 -56.31 -42.15 77.13 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -177.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.596 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp -99.2 -14.11 7.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.21 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' B3K . . . . . 0.647 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.875 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.0 m -98.53 -46.08 5.87 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.596 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 15.2 m-70 -63.06 -28.31 70.0 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 122.813 1.292 . . . . 0.0 109.186 176.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -96.94 148.25 23.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.306 -1.315 . . . . 0.0 110.891 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -98.44 140.6 32.46 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.717 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.55 -51.02 3.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.153 0 CA-C-N 116.689 -0.232 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 120.292 0.092 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.524 ' HA ' ' OG ' ' A' ' 14' ' ' SER . 76.3 m-85 -91.77 149.98 21.33 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.969 -0.539 . . . . 0.0 110.98 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MAA . . . . . 0.463 ' HM1' ' HA ' ' A' ' 2' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.692 ' HB3' ' CN ' ' A' ' 10' ' ' MMO . 14.5 t -69.74 143.27 92.18 Favored Pre-proline 0 N--CA 1.441 -0.901 0 CA-C-N 113.123 -1.853 . . . . 0.0 113.299 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 0.4 OUTLIER -90.26 -20.26 1.07 Allowed 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.762 2.975 . . . . 0.0 116.103 -178.66 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.655 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 34.5 tt0 -124.47 -22.55 4.63 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -176.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.6 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.3 p -139.1 120.19 9.83 Favored Pre-proline 0 N--CA 1.472 0.663 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.24 44.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 125.201 3.934 . . . . 0.0 115.343 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.981 ' N ' ' HC1' ' A' ' 10' ' ' MMO . 17.9 tptt -73.43 -36.25 65.92 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 118.692 -0.67 . . . . 0.0 111.762 177.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MMO . . . . . 0.981 ' HC1' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -127.19 -83.37 0.61 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.22 -174.791 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' NLE . . . . . 0.48 ' HD2' ' O ' ' A' ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -128.81 136.99 51.25 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.614 0.245 . . . . 0.0 110.71 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.524 ' OG ' ' HA ' ' A' ' 2' ' ' TYR . 45.2 m -90.33 -40.97 11.78 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.595 -179.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' B3D . . . . . 0.483 ' HB ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -59.79 -37.17 78.34 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.541 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.784 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 14.3 tp -75.73 -35.74 60.14 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 123.371 0.419 . . . . 0.0 111.367 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.589 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 69.3 m -56.06 -56.22 23.38 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.858 ' O ' ' HB ' ' A' ' 23' ' ' THR . 73.9 t60 -56.26 -41.83 76.43 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -176.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.62 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp -98.91 -16.78 6.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.278 -177.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' B3K . . . . . 0.589 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.858 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 1.9 m -98.4 -46.74 5.67 Favored 'General case' 0 C--N 1.364 1.197 0 O-C-N 123.009 0.193 . . . . 0.0 110.53 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.655 ' CE1' ' HB3' ' A' ' 6' ' ' GLU . 13.8 m-70 -61.95 -28.49 69.58 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 123.022 1.391 . . . . 0.0 109.234 176.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -144.62 152.55 40.65 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.85 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -98.71 -41.41 7.7 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.146 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -121.05 115.91 24.04 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.134 0.493 . . . . 0.0 110.843 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.222 -0.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.356 0.122 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.453 ' HA ' ' HM1' ' A' ' 3' ' ' MAA . 73.8 m-85 -96.71 150.61 20.5 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.953 -0.546 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MAA . . . . . 0.453 ' HM1' ' HA ' ' A' ' 2' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.646 ' HB3' ' CN ' ' A' ' 10' ' ' MMO . 9.7 t -67.66 144.47 97.59 Favored Pre-proline 0 N--CA 1.444 -0.76 0 CA-C-N 112.889 -1.96 . . . . 0.0 113.823 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.472 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 0.9 OUTLIER -88.45 -21.57 1.45 Allowed 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.721 2.948 . . . . 0.0 116.036 -178.676 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.74 -19.41 4.11 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -177.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.629 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.7 p -138.96 117.04 9.0 Favored Pre-proline 0 N--CA 1.472 0.643 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.01 45.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 125.089 3.86 . . . . 0.0 115.206 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.972 ' N ' ' HC1' ' A' ' 10' ' ' MMO . 20.3 tptt -72.65 -36.79 68.05 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.585 -0.721 . . . . 0.0 111.918 177.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MMO . . . . . 0.972 ' HC1' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -127.52 -79.4 0.59 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.829 -174.355 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -132.36 148.01 52.41 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.868 0.365 . . . . 0.0 111.486 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.499 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 51.9 p -90.61 -34.91 15.28 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.565 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -60.72 -33.37 72.8 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.061 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.787 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 17.6 tp -78.86 -37.07 41.24 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 123.44 0.463 . . . . 0.0 111.423 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.676 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 48.0 t -56.2 -56.22 23.63 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.873 ' O ' ' HB ' ' A' ' 23' ' ' THR . 73.5 t60 -55.8 -42.14 75.17 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -177.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.594 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp -98.82 -15.82 7.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' B3K . . . . . 0.676 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.873 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.0 m -98.91 -45.98 5.79 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.435 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.594 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 12.5 m-70 -62.19 -28.78 69.91 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 122.983 1.373 . . . . 0.0 109.114 176.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -104.06 153.55 20.75 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 114.121 -1.399 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -94.38 -41.72 9.26 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.354 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -124.28 115.34 20.87 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.238 0.542 . . . . 0.0 110.763 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 111.263 0.098 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.48 ' HA ' ' HM1' ' A' ' 3' ' ' MAA . 79.0 m-85 -135.02 148.48 49.94 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 119.078 -0.486 . . . . 0.0 110.805 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MAA . . . . . 0.48 ' HM1' ' HA ' ' A' ' 2' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.668 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 6.5 t -67.65 144.43 97.58 Favored Pre-proline 0 N--CA 1.443 -0.788 0 CA-C-N 112.991 -1.913 . . . . 0.0 113.948 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.477 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 5.8 Cg_endo -86.8 -21.12 2.24 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.671 2.914 . . . . 0.0 116.365 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.639 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 3.2 mm-40 -128.23 -27.86 2.65 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 119.97 -0.692 . . . . 0.0 112.098 -178.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.668 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 7.3 p -132.53 108.85 13.35 Favored Pre-proline 0 N--CA 1.473 0.719 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 33.6 Cg_exo -56.86 47.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.366 1.46 0 C-N-CA 125.117 3.878 . . . . 0.0 115.994 -176.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.877 ' N ' ' HC1' ' A' ' 10' ' ' MMO . 61.3 mmtt -69.03 -39.36 79.28 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.786 176.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MMO . . . . . 0.877 ' HC1' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.533 ' HE1' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -134.05 10.2 3.86 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 113.921 -1.49 . . . . 0.0 111.114 -175.814 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -129.51 129.33 44.39 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 23.2 t -87.56 -44.88 10.93 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.486 0.491 . . . . 0.0 111.639 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -61.53 -35.42 77.69 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.981 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.774 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 33.4 tp -75.83 -37.14 59.34 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 123.447 0.467 . . . . 0.0 112.007 177.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.63 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 36.7 t -58.63 -57.31 13.54 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.874 ' O ' ' HB ' ' A' ' 23' ' ' THR . 74.0 t60 -55.09 -43.78 74.28 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -177.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp -98.97 -13.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.172 -177.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' B3K . . . . . 0.63 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.874 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 1.9 m -98.43 -46.96 5.58 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.508 -178.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.639 ' CE1' ' HB2' ' A' ' 6' ' ' GLU . 16.4 m-70 -63.33 -27.47 69.34 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 122.95 1.357 . . . . 0.0 109.348 176.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.8 m120 64.6 122.86 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 114.194 -1.366 . . . . 0.0 111.824 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -129.49 153.3 48.12 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.015 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -95.75 -50.55 4.87 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.094 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.165 0 CA-C-N 116.691 -0.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.8 tttm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.577 0.227 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.47 ' HA ' ' HM1' ' A' ' 3' ' ' MAA . 81.3 m-85 -93.57 148.24 22.27 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.041 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MAA . . . . . 0.47 ' HM1' ' HA ' ' A' ' 2' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.659 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 4.1 t -68.14 144.9 97.3 Favored Pre-proline 0 N--CA 1.443 -0.789 0 CA-C-N 113.099 -1.864 . . . . 0.0 113.861 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.458 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 6.9 Cg_endo -86.39 -21.18 2.46 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.717 2.945 . . . . 0.0 116.316 -178.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 2.8 mm-40 -129.44 -25.78 2.61 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 119.975 -0.69 . . . . 0.0 112.469 -178.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.659 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 3.8 p -133.02 111.34 13.15 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.8 46.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.369 1.613 1 C-N-CA 125.328 4.019 . . . . 0.0 115.727 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.892 ' N ' ' HC1' ' A' ' 10' ' ' MMO . 25.3 tptt -70.46 -38.44 74.46 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.166 0.586 . . . . 0.0 111.585 177.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MMO . . . . . 0.892 ' HC1' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.0 9.3 3.27 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 113.834 -1.53 . . . . 0.0 111.274 -175.779 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -128.58 137.78 51.88 Favored 'General case' 0 C--N 1.345 0.386 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.8 m -93.97 -40.97 9.83 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.661 0.601 . . . . 0.0 111.83 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -62.93 -29.61 70.92 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 114.515 -1.221 . . . . 0.0 111.289 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.78 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 40.3 tp -80.54 -38.4 29.71 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 123.432 0.457 . . . . 0.0 111.608 177.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.607 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 33.4 t -58.35 -56.66 19.28 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 178.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.868 ' O ' ' HB ' ' A' ' 23' ' ' THR . 72.6 t60 -55.26 -43.77 74.95 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -177.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.595 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.9 pp -98.16 -14.18 7.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.21 -177.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' B3K . . . . . 0.607 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.868 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 1.8 m -98.37 -46.58 5.73 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.549 -178.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.595 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 14.6 m-70 -63.36 -27.48 69.34 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 122.927 1.346 . . . . 0.0 109.342 176.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -99.75 -43.06 6.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.201 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -106.39 145.84 31.22 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.436 0.46 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -119.23 -50.87 2.34 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.777 -0.192 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.555 0.217 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.411 ' HA ' ' HM1' ' A' ' 3' ' ' MAA . 71.1 m-85 -92.24 151.43 20.34 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 118.854 -0.594 . . . . 0.0 111.131 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MAA . . . . . 0.411 ' HM1' ' HA ' ' A' ' 2' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.615 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 10.1 t -68.21 144.37 96.71 Favored Pre-proline 0 N--CA 1.443 -0.811 0 CA-C-N 112.762 -2.017 . . . . 0.0 113.465 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.469 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 0.4 OUTLIER -89.79 -20.91 1.12 Allowed 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.799 2.999 . . . . 0.0 115.921 -178.551 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.688 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 6.2 tp10 -122.69 -24.28 4.92 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -176.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.615 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.8 p -139.14 115.88 8.62 Favored Pre-proline 0 N--CA 1.474 0.727 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -55.89 46.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.367 1.502 0 C-N-CA 124.852 3.701 . . . . 0.0 115.157 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.883 ' N ' ' HC1' ' A' ' 10' ' ' MMO . 2.1 tmtt? -70.15 -40.87 74.51 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.219 0.607 . . . . 0.0 111.542 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MMO . . . . . 0.883 ' HC1' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.841 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -127.68 -78.02 0.57 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.734 -174.324 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' NLE . . . . . 0.477 ' HD2' ' O ' ' A' ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -139.13 148.62 43.48 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.493 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 31.1 t -91.4 -34.55 14.82 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.37 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' B3D . . . . . 0.493 ' HB ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -58.04 -38.08 75.58 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.25 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.784 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 17.1 tp -74.53 -35.82 63.16 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 123.486 0.491 . . . . 0.0 111.591 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.665 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 75.3 m -55.92 -56.84 15.89 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.866 ' O ' ' HB ' ' A' ' 23' ' ' THR . 75.3 t60 -55.74 -42.11 74.91 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -177.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.608 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp -99.06 -15.6 7.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.179 -177.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' B3K . . . . . 0.665 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.866 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.0 m -98.99 -46.12 5.71 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.518 -178.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.688 ' CE1' ' HB3' ' A' ' 6' ' ' GLU . 16.0 m-70 -62.37 -28.29 69.66 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 122.947 1.356 . . . . 0.0 109.194 176.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -135.34 129.52 33.57 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 114.226 -1.352 . . . . 0.0 110.664 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -111.63 140.59 46.12 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -100.0 115.63 30.15 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.544 0.212 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.483 ' HA ' ' HM1' ' A' ' 3' ' ' MAA . 71.2 m-85 -89.03 150.53 22.74 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.081 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MAA . . . . . 0.485 ' HB1' HCG2 ' A' ' 10' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.702 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 1.9 t -77.89 144.37 68.19 Favored Pre-proline 0 N--CA 1.439 -0.982 0 CA-C-N 113.329 -1.76 . . . . 0.0 113.016 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -87.48 -21.39 1.87 Allowed 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 123.67 2.913 . . . . 0.0 116.388 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' HG3' ' ND1' ' A' ' 24' ' ' HIS . 1.1 mt-10 -131.6 -18.52 2.78 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.535 -0.866 . . . . 0.0 113.217 -177.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.77 ' O ' ' N ' ' A' ' 9' ' ' LYS . 2.1 p -133.54 117.51 14.33 Favored Pre-proline 0 C--O 1.22 -0.496 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.971 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -38.74 32.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 1 C-N-CA 126.401 4.734 . . . . 0.0 117.015 -178.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.77 ' N ' ' O ' ' A' ' 7' ' ' CYS . 9.2 tptt -90.88 107.81 19.43 Favored 'General case' 0 N--CA 1.424 -1.733 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MMO . . . . . 0.513 ' HC1' ' HA ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.528 ' CE1' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -152.29 135.06 15.48 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 113.349 -1.751 . . . . 0.0 107.171 -174.513 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -139.39 91.42 2.49 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.6 m -82.38 -22.48 35.43 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -176.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -60.95 -33.34 73.03 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 114.86 -1.064 . . . . 0.0 113.017 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.786 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 1.5 tt -84.42 -33.74 23.65 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.587 ' O ' HG13 ' A' ' 21' ' ' ILE . 28.5 t -59.82 -53.19 60.83 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.87 ' O ' ' HB ' ' A' ' 23' ' ' THR . 72.8 t60 -60.58 -41.49 94.77 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.744 HG23 HD23 ' A' ' 17' ' ' LEU . 2.0 pp -98.5 -15.32 7.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.157 -178.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' B3K . . . . . 0.574 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.87 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.1 m -98.0 -45.62 6.2 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.438 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.608 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 11.9 m-70 -62.35 -28.33 69.68 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 122.805 1.288 . . . . 0.0 109.223 176.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 63.66 131.3 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 114.329 -1.305 . . . . 0.0 112.185 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -110.1 -45.17 3.64 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.242 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -112.49 115.85 29.32 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.197 0.523 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.389 0.137 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.51 ' HA ' ' HM1' ' A' ' 3' ' ' MAA . 80.1 m-85 -77.79 149.84 34.39 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 118.787 -0.625 . . . . 0.0 111.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MAA . . . . . 0.518 ' HB1' ' NE ' ' A' ' 10' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.729 ' HB3' ' CN ' ' A' ' 10' ' ' MMO . 5.2 t -75.71 144.69 77.25 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 113.477 -1.692 . . . . 0.0 113.255 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.453 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 2.0 Cg_endo -87.6 -21.36 1.84 Allowed 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.729 2.953 . . . . 0.0 116.146 -178.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.17 -19.14 3.57 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -177.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.624 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.6 p -137.71 117.47 10.17 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.98 43.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.367 1.521 0 C-N-CA 125.297 3.998 . . . . 0.0 115.584 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.943 ' N ' ' HC1' ' A' ' 10' ' ' MMO . 19.6 tptt -72.39 -38.07 68.55 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.422 177.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MMO . . . . . 0.943 ' HC1' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.541 ' CE1' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -128.61 -86.78 0.56 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.226 -174.586 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' NLE . . . . . 0.477 ' HD2' ' O ' ' A' ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' H ' ' H ' ' A' ' 12' ' ' NLE . 95.2 mtt180 -125.88 137.66 53.75 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 120.678 0.275 . . . . 0.0 110.612 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.7 m -91.49 -40.09 11.58 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.19 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' B3D . . . . . 0.475 ' HB ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -59.31 -39.27 82.53 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.49 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.777 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 17.2 tp -76.22 -37.53 57.62 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 123.319 0.387 . . . . 0.0 111.752 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.706 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 66.2 m -55.11 -53.92 49.82 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.906 ' O ' ' HB ' ' A' ' 23' ' ' THR . 76.0 t60 -54.88 -44.72 74.32 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -177.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.619 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 2.1 pp -94.64 -26.17 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.047 -177.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' B3K . . . . . 0.706 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.906 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.8 m -98.98 -45.95 5.78 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 121.131 -0.228 . . . . 0.0 111.282 -178.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.619 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 6.8 m-70 -59.62 -28.51 67.27 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.623 0.725 . . . . 0.0 111.283 178.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 22' ' ' B3K . 2.4 m120 -92.25 -40.28 11.05 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 123.325 0.391 . . . . 0.0 111.494 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -99.8 -41.84 7.08 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.384 0.428 . . . . 0.0 111.236 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -116.25 115.77 26.57 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.203 0.525 . . . . 0.0 110.782 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.756 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 7.0 t . . . . . 0 N--CA 1.442 -0.842 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -91.06 -20.12 0.83 Allowed 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.799 2.999 . . . . 0.0 116.645 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HG3' ' ND1' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -131.32 -15.74 3.19 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -176.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.756 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -135.77 130.99 18.94 Favored Pre-proline 0 C--O 1.221 -0.435 0 CA-C-O 121.056 0.455 . . . . 0.0 111.816 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -45.12 25.9 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.253 1 C-N-CA 126.103 4.535 . . . . 0.0 117.174 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER . . . . . 0 N--CA 1.425 -1.703 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 176.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t60 . . . . . 0 N--CA 1.469 0.521 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.801 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 15.1 tp -79.08 -35.06 43.02 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 119.289 -0.386 . . . . 0.0 111.583 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.546 ' O ' HG13 ' A' ' 21' ' ' ILE . 62.3 m . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.885 ' O ' ' HB ' ' A' ' 23' ' ' THR . 71.9 t60 . . . . . 0 CA--C 1.538 0.481 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.617 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp . . . . . 0 C--N 1.314 -0.956 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.27 -177.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.885 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.4 m . . . . . 0 N--CA 1.469 0.512 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.617 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 13.3 m-70 . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 122.941 1.353 . . . . 0.0 109.295 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.615 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 8.0 t . . . . . 0 N--CA 1.444 -0.768 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.464 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 1.5 Cg_endo -88.17 -21.33 1.61 Allowed 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.657 2.905 . . . . 0.0 116.124 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.36 -19.91 3.77 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.615 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.7 p -137.26 116.46 10.26 Favored Pre-proline 0 N--CA 1.472 0.652 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.19 43.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.366 1.478 1 C-N-CA 125.33 4.02 . . . . 0.0 115.687 -179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 7' ' ' CYS . 3.3 tmtt? . . . . . 0 CA--C 1.536 0.442 0 CA-C-O 118.899 -0.572 . . . . 0.0 111.503 177.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.5 m80 . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 111.412 0.153 . . . . 0.0 111.412 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.788 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 14.9 tp -74.12 -35.04 64.1 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 123.354 0.408 . . . . 0.0 111.45 177.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.571 ' O ' HG13 ' A' ' 21' ' ' ILE . 74.3 m . . . . . 0 N--CA 1.47 0.542 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.875 ' O ' ' HB ' ' A' ' 23' ' ' THR . 71.8 t60 . . . . . 0 CA--C 1.539 0.538 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.596 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp . . . . . 0 C--N 1.316 -0.89 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.21 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.875 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.0 m . . . . . 0 N--CA 1.47 0.526 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.596 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 15.2 m-70 . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 122.813 1.292 . . . . 0.0 109.186 176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.6 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 14.5 t . . . . . 0 N--CA 1.441 -0.901 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 0.4 OUTLIER -90.26 -20.26 1.07 Allowed 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.762 2.975 . . . . 0.0 116.103 -178.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.655 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 34.5 tt0 -124.47 -22.55 4.63 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -176.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.6 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.3 p -139.1 120.19 9.83 Favored Pre-proline 0 N--CA 1.472 0.663 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.24 44.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 125.201 3.934 . . . . 0.0 115.343 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.481 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 17.9 tptt . . . . . 0 CA--C 1.538 0.513 0 CA-C-O 118.692 -0.67 . . . . 0.0 111.762 177.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.784 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 14.3 tp -75.73 -35.74 60.14 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 123.371 0.419 . . . . 0.0 111.367 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.544 ' O ' HG13 ' A' ' 21' ' ' ILE . 69.3 m . . . . . 0 N--CA 1.47 0.552 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.858 ' O ' ' HB ' ' A' ' 23' ' ' THR . 73.9 t60 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.62 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.278 -177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.858 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 1.9 m . . . . . 0 N--CA 1.472 0.625 0 N-CA-C 110.53 -0.174 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.655 ' CE1' ' HB3' ' A' ' 6' ' ' GLU . 13.8 m-70 . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 123.022 1.391 . . . . 0.0 109.234 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.629 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 9.7 t . . . . . 0 N--CA 1.444 -0.76 0 N-CA-C 113.823 1.046 . . . . 0.0 113.823 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.472 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 0.9 OUTLIER -88.45 -21.57 1.45 Allowed 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.721 2.948 . . . . 0.0 116.036 -178.676 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.74 -19.41 4.11 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -177.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.629 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.7 p -138.96 117.04 9.0 Favored Pre-proline 0 N--CA 1.472 0.643 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.01 45.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 125.089 3.86 . . . . 0.0 115.206 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.494 ' N ' ' O ' ' A' ' 7' ' ' CYS . 20.3 tptt . . . . . 0 CA--C 1.538 0.514 0 CA-C-O 118.585 -0.721 . . . . 0.0 111.918 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 . . . . . 0 N--CA 1.466 0.374 0 N-CA-C 111.061 0.022 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.787 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 17.6 tp -78.86 -37.07 41.24 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 123.44 0.463 . . . . 0.0 111.423 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.553 ' O ' HG13 ' A' ' 21' ' ' ILE . 48.0 t . . . . . 0 N--CA 1.472 0.627 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.873 ' O ' ' HB ' ' A' ' 23' ' ' THR . 73.5 t60 . . . . . 0 CA--C 1.539 0.545 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.594 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp . . . . . 0 C--N 1.317 -0.844 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.873 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.0 m . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.594 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 12.5 m-70 . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 122.983 1.373 . . . . 0.0 109.114 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.668 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 6.5 t . . . . . 0 N--CA 1.443 -0.788 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.477 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 5.8 Cg_endo -86.8 -21.12 2.24 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.671 2.914 . . . . 0.0 116.365 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.639 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 3.2 mm-40 -128.23 -27.86 2.65 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 119.97 -0.692 . . . . 0.0 112.098 -178.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.668 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 7.3 p -132.53 108.85 13.35 Favored Pre-proline 0 N--CA 1.473 0.719 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 33.6 Cg_exo -56.86 47.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.366 1.46 0 C-N-CA 125.117 3.878 . . . . 0.0 115.994 -176.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 7' ' ' CYS . 61.3 mmtt . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.786 176.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.5 m80 . . . . . 0 N--CA 1.468 0.44 0 CA-C-O 119.92 -0.086 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.774 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 33.4 tp -75.83 -37.14 59.34 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 123.447 0.467 . . . . 0.0 112.007 177.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.568 ' O ' HG13 ' A' ' 21' ' ' ILE . 36.7 t . . . . . 0 N--CA 1.471 0.579 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.874 ' O ' ' HB ' ' A' ' 23' ' ' THR . 74.0 t60 . . . . . 0 CA--C 1.539 0.521 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.172 -177.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.874 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 1.9 m . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.639 ' CE1' ' HB2' ' A' ' 6' ' ' GLU . 16.4 m-70 . . . . . 0 N--CA 1.476 0.848 0 CA-C-O 122.95 1.357 . . . . 0.0 109.348 176.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.659 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 4.1 t . . . . . 0 N--CA 1.443 -0.789 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.458 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 6.9 Cg_endo -86.39 -21.18 2.46 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.717 2.945 . . . . 0.0 116.316 -178.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 2.8 mm-40 -129.44 -25.78 2.61 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 119.975 -0.69 . . . . 0.0 112.469 -178.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.659 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 3.8 p -133.02 111.34 13.15 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.8 46.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.369 1.613 1 C-N-CA 125.328 4.019 . . . . 0.0 115.727 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 7' ' ' CYS . 25.3 tptt . . . . . 0 CA--C 1.543 0.7 0 C-N-CA 123.166 0.586 . . . . 0.0 111.585 177.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.7 m80 . . . . . 0 N--CA 1.465 0.299 0 N-CA-C 111.289 0.107 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.78 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 40.3 tp -80.54 -38.4 29.71 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 123.432 0.457 . . . . 0.0 111.608 177.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.57 ' O ' HG13 ' A' ' 21' ' ' ILE . 33.4 t . . . . . 0 N--CA 1.47 0.559 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 178.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.868 ' O ' ' HB ' ' A' ' 23' ' ' THR . 72.6 t60 . . . . . 0 CA--C 1.538 0.488 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.595 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.9 pp . . . . . 0 C--N 1.316 -0.867 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.21 -177.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.868 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 1.8 m . . . . . 0 N--CA 1.471 0.585 0 N-CA-C 110.549 -0.167 . . . . 0.0 110.549 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.595 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 14.6 m-70 . . . . . 0 N--CA 1.476 0.85 0 CA-C-O 122.927 1.346 . . . . 0.0 109.342 176.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.615 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 10.1 t . . . . . 0 N--CA 1.443 -0.811 0 N-CA-C 113.465 0.913 . . . . 0.0 113.465 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.469 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 0.4 OUTLIER -89.79 -20.91 1.12 Allowed 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.799 2.999 . . . . 0.0 115.921 -178.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.688 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 6.2 tp10 -122.69 -24.28 4.92 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -176.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.615 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.8 p -139.14 115.88 8.62 Favored Pre-proline 0 N--CA 1.474 0.727 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -55.89 46.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.367 1.502 0 C-N-CA 124.852 3.701 . . . . 0.0 115.157 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.49 ' N ' ' O ' ' A' ' 7' ' ' CYS . 2.1 tmtt? . . . . . 0 CA--C 1.532 0.285 0 C-N-CA 123.219 0.607 . . . . 0.0 111.542 177.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 . . . . . 0 N--CA 1.469 0.524 0 N-CA-C 111.25 0.093 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.784 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 17.1 tp -74.53 -35.82 63.16 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 123.486 0.491 . . . . 0.0 111.591 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.56 ' O ' HG13 ' A' ' 21' ' ' ILE . 75.3 m . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.866 ' O ' ' HB ' ' A' ' 23' ' ' THR . 75.3 t60 . . . . . 0 CA--C 1.54 0.574 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.608 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp . . . . . 0 C--N 1.317 -0.821 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.179 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.866 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.0 m . . . . . 0 N--CA 1.469 0.509 0 CA-C-O 119.716 -0.183 . . . . 0.0 110.518 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.688 ' CE1' ' HB3' ' A' ' 6' ' ' GLU . 16.0 m-70 . . . . . 0 N--CA 1.475 0.796 0 CA-C-O 122.947 1.356 . . . . 0.0 109.194 176.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.702 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 1.9 t . . . . . 0 N--CA 1.439 -0.982 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -87.48 -21.39 1.87 Allowed 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 123.67 2.913 . . . . 0.0 116.388 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.401 ' HG3' ' ND1' ' A' ' 24' ' ' HIS . 1.1 mt-10 -131.6 -18.52 2.78 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.535 -0.866 . . . . 0.0 113.217 -177.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.77 ' O ' ' N ' ' A' ' 9' ' ' LYS . 2.1 p -133.54 117.51 14.33 Favored Pre-proline 0 C--O 1.22 -0.496 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.971 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -38.74 32.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 1 C-N-CA 126.401 4.734 . . . . 0.0 117.015 -178.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.77 ' N ' ' O ' ' A' ' 7' ' ' CYS . 9.2 tptt . . . . . 0 N--CA 1.424 -1.733 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.1 t60 . . . . . 0 N--CA 1.468 0.469 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.786 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 1.5 tt -84.42 -33.74 23.65 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.587 ' O ' HG13 ' A' ' 21' ' ' ILE . 28.5 t . . . . . 0 N--CA 1.469 0.49 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.87 ' O ' ' HB ' ' A' ' 23' ' ' THR . 72.8 t60 . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.744 HG23 HD23 ' A' ' 17' ' ' LEU . 2.0 pp . . . . . 0 C--N 1.316 -0.854 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.157 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.87 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.1 m . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 110.438 -0.208 . . . . 0.0 110.438 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.608 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 11.9 m-70 . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 122.805 1.288 . . . . 0.0 109.223 176.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.624 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 5.2 t . . . . . 0 N--CA 1.445 -0.699 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.453 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 2.0 Cg_endo -87.6 -21.36 1.84 Allowed 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.729 2.953 . . . . 0.0 116.146 -178.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.17 -19.14 3.57 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -177.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.624 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.6 p -137.71 117.47 10.17 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.98 43.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.367 1.521 0 C-N-CA 125.297 3.998 . . . . 0.0 115.584 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' N ' ' O ' ' A' ' 7' ' ' CYS . 19.6 tptt . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.422 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 N--CA 1.47 0.564 0 CA-C-O 119.656 -0.212 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.777 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 17.2 tp -76.22 -37.53 57.62 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 123.319 0.387 . . . . 0.0 111.752 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.52 ' O ' HG13 ' A' ' 21' ' ' ILE . 66.2 m . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.906 ' O ' ' HB ' ' A' ' 23' ' ' THR . 76.0 t60 . . . . . 0 CA--C 1.537 0.478 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.619 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 2.1 pp . . . . . 0 N--CA 1.441 -0.887 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.047 -177.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.906 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.8 m . . . . . 0 N--CA 1.469 0.519 0 CA-C-O 119.806 -0.14 . . . . 0.0 111.282 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.619 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 6.8 m-70 . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 121.623 0.725 . . . . 0.0 111.283 178.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.3 mttt . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.351 0.12 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.498 ' HA ' ' HM1' ' A' ' 3' ' ' MAA . 85.5 m-85 -81.16 150.78 28.55 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 118.738 -0.649 . . . . 0.0 110.924 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MAA . . . . . 0.522 ' HB1' HCG2 ' A' ' 10' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.756 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 7.0 t -76.67 141.92 69.54 Favored Pre-proline 0 N--CA 1.442 -0.842 0 CA-C-N 113.675 -1.602 . . . . 0.0 113.096 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -91.06 -20.12 0.83 Allowed 'Trans proline' 0 CA--C 1.539 0.732 0 C-N-CA 123.799 2.999 . . . . 0.0 116.645 -178.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' HG3' ' ND1' ' A' ' 24' ' ' HIS . 0.6 OUTLIER -131.32 -15.74 3.19 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 -176.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.756 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -135.77 130.99 18.94 Favored Pre-proline 0 C--O 1.221 -0.435 0 CA-C-O 121.056 0.455 . . . . 0.0 111.816 179.466 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_exo -45.12 25.9 0.01 OUTLIER 'Trans proline' 0 CA--C 1.549 1.253 1 C-N-CA 126.103 4.535 . . . . 0.0 117.174 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 7' ' ' CYS . 0.4 OUTLIER -98.56 99.07 10.18 Favored 'General case' 0 N--CA 1.425 -1.703 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 176.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MMO . . . . . 0.522 HCG2 ' HB1' ' A' ' 3' ' ' MAA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.495 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -109.47 -100.1 0.39 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 114.321 -1.309 . . . . 0.0 111.556 -173.005 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' NLE . . . . . 0.488 ' HD2' ' O ' ' A' ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -105.68 115.48 30.31 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 44.3 p -79.73 -39.79 30.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.325 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' B3D . . . . . 0.458 ' HB ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -61.34 -36.23 79.6 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 114.786 -1.097 . . . . 0.0 111.805 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.801 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 15.1 tp -79.08 -35.06 43.02 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 119.289 -0.386 . . . . 0.0 111.583 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.666 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 62.3 m -57.48 -58.03 10.06 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.885 ' O ' ' HB ' ' A' ' 23' ' ' THR . 71.9 t60 -56.88 -42.85 80.57 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -176.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.617 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp -99.23 -12.89 8.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.27 -177.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' B3K . . . . . 0.666 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.885 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.4 m -97.68 -46.99 5.78 Favored 'General case' 0 C--N 1.361 1.086 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.617 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 13.3 m-70 -62.66 -29.9 70.98 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 122.941 1.353 . . . . 0.0 109.295 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -120.81 131.55 54.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.081 -1.418 . . . . 0.0 110.944 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -130.46 139.45 50.55 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.785 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -127.12 114.67 18.03 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.51 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 120.551 0.215 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.461 ' HA ' ' HM1' ' A' ' 3' ' ' MAA . 93.0 m-85 64.36 144.3 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.112 0.965 . . . . 0.0 112.298 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MAA . . . . . 0.461 ' HM1' ' HA ' ' A' ' 2' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.674 ' HB3' ' CN ' ' A' ' 10' ' ' MMO . 8.0 t -71.66 144.5 88.63 Favored Pre-proline 0 N--CA 1.444 -0.768 0 CA-C-N 113.015 -1.902 . . . . 0.0 113.688 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.464 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 1.5 Cg_endo -88.17 -21.33 1.61 Allowed 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 123.657 2.905 . . . . 0.0 116.124 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.36 -19.91 3.77 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -177.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.615 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.7 p -137.26 116.46 10.26 Favored Pre-proline 0 N--CA 1.472 0.652 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 178.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.19 43.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.366 1.478 1 C-N-CA 125.33 4.02 . . . . 0.0 115.687 -179.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.931 ' N ' ' HC1' ' A' ' 10' ' ' MMO . 3.3 tmtt? -70.74 -39.98 73.0 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.899 -0.572 . . . . 0.0 111.503 177.073 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MMO . . . . . 0.931 ' HC1' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.873 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -128.89 -84.74 0.57 Allowed 'General case' 0 C--O 1.236 0.368 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.268 -174.762 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -129.53 138.42 51.33 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 120.722 0.296 . . . . 0.0 110.925 -178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.442 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 8.8 t -90.3 -40.57 12.05 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.318 -179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' B3D . . . . . 0.491 ' HB ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -59.36 -38.3 80.09 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.412 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.788 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 14.9 tp -74.12 -35.04 64.1 Favored 'General case' 0 C--O 1.218 -0.566 0 O-C-N 123.354 0.408 . . . . 0.0 111.45 177.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.647 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 74.3 m -56.97 -56.89 15.88 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.875 ' O ' ' HB ' ' A' ' 23' ' ' THR . 71.8 t60 -56.31 -42.15 77.13 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -177.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.596 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp -99.2 -14.11 7.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.21 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' B3K . . . . . 0.647 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.875 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.0 m -98.53 -46.08 5.87 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 -178.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.596 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 15.2 m-70 -63.06 -28.31 70.0 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 122.813 1.292 . . . . 0.0 109.186 176.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -96.94 148.25 23.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.306 -1.315 . . . . 0.0 110.891 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -98.44 140.6 32.46 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.717 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.55 -51.02 3.88 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.153 0 CA-C-N 116.689 -0.232 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 120.292 0.092 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.524 ' HA ' ' OG ' ' A' ' 14' ' ' SER . 76.3 m-85 -91.77 149.98 21.33 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 118.969 -0.539 . . . . 0.0 110.98 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MAA . . . . . 0.463 ' HM1' ' HA ' ' A' ' 2' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.692 ' HB3' ' CN ' ' A' ' 10' ' ' MMO . 14.5 t -69.74 143.27 92.18 Favored Pre-proline 0 N--CA 1.441 -0.901 0 CA-C-N 113.123 -1.853 . . . . 0.0 113.299 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 0.4 OUTLIER -90.26 -20.26 1.07 Allowed 'Trans proline' 0 CA--C 1.537 0.645 0 C-N-CA 123.762 2.975 . . . . 0.0 116.103 -178.66 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.655 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 34.5 tt0 -124.47 -22.55 4.63 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 113.116 0.784 . . . . 0.0 113.116 -176.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.6 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.3 p -139.1 120.19 9.83 Favored Pre-proline 0 N--CA 1.472 0.663 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 178.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.24 44.02 0.03 OUTLIER 'Trans proline' 0 C--N 1.365 1.413 0 C-N-CA 125.201 3.934 . . . . 0.0 115.343 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.981 ' N ' ' HC1' ' A' ' 10' ' ' MMO . 17.9 tptt -73.43 -36.25 65.92 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-O 118.692 -0.67 . . . . 0.0 111.762 177.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MMO . . . . . 0.981 ' HC1' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.558 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -127.19 -83.37 0.61 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.22 -174.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' NLE . . . . . 0.48 ' HD2' ' O ' ' A' ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -128.81 136.99 51.25 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.614 0.245 . . . . 0.0 110.71 -178.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.524 ' OG ' ' HA ' ' A' ' 2' ' ' TYR . 45.2 m -90.33 -40.97 11.78 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.595 -179.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' B3D . . . . . 0.483 ' HB ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -59.79 -37.17 78.34 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.883 -1.053 . . . . 0.0 111.541 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.784 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 14.3 tp -75.73 -35.74 60.14 Favored 'General case' 0 C--N 1.349 0.565 0 O-C-N 123.371 0.419 . . . . 0.0 111.367 177.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.589 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 69.3 m -56.06 -56.22 23.38 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 178.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.858 ' O ' ' HB ' ' A' ' 23' ' ' THR . 73.9 t60 -56.26 -41.83 76.43 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -176.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.62 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp -98.91 -16.78 6.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.125 -0.489 . . . . 0.0 112.278 -177.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' B3K . . . . . 0.589 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.858 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 1.9 m -98.4 -46.74 5.67 Favored 'General case' 0 C--N 1.364 1.197 0 O-C-N 123.009 0.193 . . . . 0.0 110.53 -178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.655 ' CE1' ' HB3' ' A' ' 6' ' ' GLU . 13.8 m-70 -61.95 -28.49 69.58 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 123.022 1.391 . . . . 0.0 109.234 176.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -144.62 152.55 40.65 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 114.061 -1.427 . . . . 0.0 110.85 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -98.71 -41.41 7.7 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.146 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -121.05 115.91 24.04 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.134 0.493 . . . . 0.0 110.843 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.222 -0.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.356 0.122 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.453 ' HA ' ' HM1' ' A' ' 3' ' ' MAA . 73.8 m-85 -96.71 150.61 20.5 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.953 -0.546 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MAA . . . . . 0.453 ' HM1' ' HA ' ' A' ' 2' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.646 ' HB3' ' CN ' ' A' ' 10' ' ' MMO . 9.7 t -67.66 144.47 97.59 Favored Pre-proline 0 N--CA 1.444 -0.76 0 CA-C-N 112.889 -1.96 . . . . 0.0 113.823 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.472 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 0.9 OUTLIER -88.45 -21.57 1.45 Allowed 'Trans proline' 0 CA--C 1.538 0.679 0 C-N-CA 123.721 2.948 . . . . 0.0 116.036 -178.676 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.74 -19.41 4.11 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -177.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.629 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.7 p -138.96 117.04 9.0 Favored Pre-proline 0 N--CA 1.472 0.643 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 178.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.01 45.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.368 1.559 0 C-N-CA 125.089 3.86 . . . . 0.0 115.206 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.972 ' N ' ' HC1' ' A' ' 10' ' ' MMO . 20.3 tptt -72.65 -36.79 68.05 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 118.585 -0.721 . . . . 0.0 111.918 177.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MMO . . . . . 0.972 ' HC1' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -127.52 -79.4 0.59 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-N 114.807 -1.088 . . . . 0.0 111.829 -174.355 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.2 mtt180 -132.36 148.01 52.41 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.868 0.365 . . . . 0.0 111.486 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.499 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 51.9 p -90.61 -34.91 15.28 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.565 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -60.72 -33.37 72.8 Favored 'General case' 0 C--N 1.345 0.408 0 CA-C-N 114.762 -1.108 . . . . 0.0 111.061 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.787 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 17.6 tp -78.86 -37.07 41.24 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 123.44 0.463 . . . . 0.0 111.423 177.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.676 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 48.0 t -56.2 -56.22 23.63 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.873 ' O ' ' HB ' ' A' ' 23' ' ' THR . 73.5 t60 -55.8 -42.14 75.17 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.063 1.135 . . . . 0.0 114.063 -177.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.594 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp -98.82 -15.82 7.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -177.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' B3K . . . . . 0.676 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.873 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.0 m -98.91 -45.98 5.79 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 121.021 -0.272 . . . . 0.0 110.435 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.594 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 12.5 m-70 -62.19 -28.78 69.91 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 122.983 1.373 . . . . 0.0 109.114 176.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -104.06 153.55 20.75 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 114.121 -1.399 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -94.38 -41.72 9.26 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.354 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -124.28 115.34 20.87 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.238 0.542 . . . . 0.0 110.763 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 111.263 0.098 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.48 ' HA ' ' HM1' ' A' ' 3' ' ' MAA . 79.0 m-85 -135.02 148.48 49.94 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 119.078 -0.486 . . . . 0.0 110.805 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MAA . . . . . 0.48 ' HM1' ' HA ' ' A' ' 2' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.668 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 6.5 t -67.65 144.43 97.58 Favored Pre-proline 0 N--CA 1.443 -0.788 0 CA-C-N 112.991 -1.913 . . . . 0.0 113.948 -179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.477 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 5.8 Cg_endo -86.8 -21.12 2.24 Favored 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 123.671 2.914 . . . . 0.0 116.365 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.639 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 3.2 mm-40 -128.23 -27.86 2.65 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 119.97 -0.692 . . . . 0.0 112.098 -178.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.668 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 7.3 p -132.53 108.85 13.35 Favored Pre-proline 0 N--CA 1.473 0.719 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 178.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 7' ' ' CYS . 33.6 Cg_exo -56.86 47.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.366 1.46 0 C-N-CA 125.117 3.878 . . . . 0.0 115.994 -176.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.877 ' N ' ' HC1' ' A' ' 10' ' ' MMO . 61.3 mmtt -69.03 -39.36 79.28 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 119.029 -0.51 . . . . 0.0 111.786 176.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MMO . . . . . 0.877 ' HC1' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.533 ' HE1' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -134.05 10.2 3.86 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 113.921 -1.49 . . . . 0.0 111.114 -175.814 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -129.51 129.33 44.39 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 23.2 t -87.56 -44.88 10.93 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.486 0.491 . . . . 0.0 111.639 -179.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -61.53 -35.42 77.69 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 114.592 -1.186 . . . . 0.0 110.981 179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.774 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 33.4 tp -75.83 -37.14 59.34 Favored 'General case' 0 C--N 1.349 0.564 0 O-C-N 123.447 0.467 . . . . 0.0 112.007 177.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.63 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 36.7 t -58.63 -57.31 13.54 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 179.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.874 ' O ' ' HB ' ' A' ' 23' ' ' THR . 74.0 t60 -55.09 -43.78 74.28 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -177.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.602 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp -98.97 -13.28 8.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.172 -177.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' B3K . . . . . 0.63 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.874 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 1.9 m -98.43 -46.96 5.58 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.508 -178.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.639 ' CE1' ' HB2' ' A' ' 6' ' ' GLU . 16.4 m-70 -63.33 -27.47 69.34 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-O 122.95 1.357 . . . . 0.0 109.348 176.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.8 m120 64.6 122.86 0.02 OUTLIER 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 114.194 -1.366 . . . . 0.0 111.824 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -129.49 153.3 48.12 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.015 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -95.75 -50.55 4.87 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.094 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.165 0 CA-C-N 116.691 -0.231 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.8 tttm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.577 0.227 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.47 ' HA ' ' HM1' ' A' ' 3' ' ' MAA . 81.3 m-85 -93.57 148.24 22.27 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.041 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MAA . . . . . 0.47 ' HM1' ' HA ' ' A' ' 2' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.659 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 4.1 t -68.14 144.9 97.3 Favored Pre-proline 0 N--CA 1.443 -0.789 0 CA-C-N 113.099 -1.864 . . . . 0.0 113.861 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.458 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 6.9 Cg_endo -86.39 -21.18 2.46 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.717 2.945 . . . . 0.0 116.316 -178.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.581 ' HB2' ' CE1' ' A' ' 24' ' ' HIS . 2.8 mm-40 -129.44 -25.78 2.61 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 119.975 -0.69 . . . . 0.0 112.469 -178.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.659 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 3.8 p -133.02 111.34 13.15 Favored Pre-proline 0 CA--C 1.544 0.73 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.8 46.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.369 1.613 1 C-N-CA 125.328 4.019 . . . . 0.0 115.727 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.892 ' N ' ' HC1' ' A' ' 10' ' ' MMO . 25.3 tptt -70.46 -38.44 74.46 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.166 0.586 . . . . 0.0 111.585 177.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MMO . . . . . 0.892 ' HC1' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.593 ' CE2' ' HB3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -136.0 9.3 3.27 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 113.834 -1.53 . . . . 0.0 111.274 -175.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -128.58 137.78 51.88 Favored 'General case' 0 C--N 1.345 0.386 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.8 m -93.97 -40.97 9.83 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.661 0.601 . . . . 0.0 111.83 -179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -62.93 -29.61 70.92 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-N 114.515 -1.221 . . . . 0.0 111.289 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.78 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 40.3 tp -80.54 -38.4 29.71 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 123.432 0.457 . . . . 0.0 111.608 177.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.607 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 33.4 t -58.35 -56.66 19.28 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 178.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.868 ' O ' ' HB ' ' A' ' 23' ' ' THR . 72.6 t60 -55.26 -43.77 74.95 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -177.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.595 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.9 pp -98.16 -14.18 7.84 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.21 -177.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' B3K . . . . . 0.607 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.868 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 1.8 m -98.37 -46.58 5.73 Favored 'General case' 0 C--N 1.361 1.086 0 C-N-CA 121.046 -0.261 . . . . 0.0 110.549 -178.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.595 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 14.6 m-70 -63.36 -27.48 69.34 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-O 122.927 1.346 . . . . 0.0 109.342 176.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -99.75 -43.06 6.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 114.305 -1.316 . . . . 0.0 111.201 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -106.39 145.84 31.22 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.436 0.46 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -119.23 -50.87 2.34 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.777 -0.192 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.555 0.217 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.411 ' HA ' ' HM1' ' A' ' 3' ' ' MAA . 71.1 m-85 -92.24 151.43 20.34 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 118.854 -0.594 . . . . 0.0 111.131 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MAA . . . . . 0.411 ' HM1' ' HA ' ' A' ' 2' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.615 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 10.1 t -68.21 144.37 96.71 Favored Pre-proline 0 N--CA 1.443 -0.811 0 CA-C-N 112.762 -2.017 . . . . 0.0 113.465 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.469 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 0.4 OUTLIER -89.79 -20.91 1.12 Allowed 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 123.799 2.999 . . . . 0.0 115.921 -178.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.688 ' HB3' ' CE1' ' A' ' 24' ' ' HIS . 6.2 tp10 -122.69 -24.28 4.92 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -176.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.615 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.8 p -139.14 115.88 8.62 Favored Pre-proline 0 N--CA 1.474 0.727 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -55.89 46.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.367 1.502 0 C-N-CA 124.852 3.701 . . . . 0.0 115.157 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.883 ' N ' ' HC1' ' A' ' 10' ' ' MMO . 2.1 tmtt? -70.15 -40.87 74.51 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.219 0.607 . . . . 0.0 111.542 177.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MMO . . . . . 0.883 ' HC1' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.841 ' HE2' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -127.68 -78.02 0.57 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.734 -174.324 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' NLE . . . . . 0.477 ' HD2' ' O ' ' A' ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -139.13 148.62 43.48 Favored 'General case' 0 C--N 1.346 0.453 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.493 -178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.481 ' O ' ' HB3' ' A' ' 17' ' ' LEU . 31.1 t -91.4 -34.55 14.82 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.37 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' B3D . . . . . 0.493 ' HB ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -58.04 -38.08 75.58 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.25 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.784 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 17.1 tp -74.53 -35.82 63.16 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 123.486 0.491 . . . . 0.0 111.591 177.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.665 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 75.3 m -55.92 -56.84 15.89 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 178.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.866 ' O ' ' HB ' ' A' ' 23' ' ' THR . 75.3 t60 -55.74 -42.11 74.91 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -177.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.608 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 1.8 pp -99.06 -15.6 7.36 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 CA-C-N 116.155 -0.475 . . . . 0.0 112.179 -177.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' B3K . . . . . 0.665 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.866 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.0 m -98.99 -46.12 5.71 Favored 'General case' 0 C--N 1.361 1.067 0 C-N-CA 120.963 -0.295 . . . . 0.0 110.518 -178.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.688 ' CE1' ' HB3' ' A' ' 6' ' ' GLU . 16.0 m-70 -62.37 -28.29 69.66 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 122.947 1.356 . . . . 0.0 109.194 176.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -135.34 129.52 33.57 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 114.226 -1.352 . . . . 0.0 110.664 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -111.63 140.59 46.12 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -100.0 115.63 30.15 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.841 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.0 mttt . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.544 0.212 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.483 ' HA ' ' HM1' ' A' ' 3' ' ' MAA . 71.2 m-85 -89.03 150.53 22.74 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.081 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MAA . . . . . 0.485 ' HB1' HCG2 ' A' ' 10' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.702 ' SG ' ' O ' ' A' ' 7' ' ' CYS . 1.9 t -77.89 144.37 68.19 Favored Pre-proline 0 N--CA 1.439 -0.982 0 CA-C-N 113.329 -1.76 . . . . 0.0 113.016 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -87.48 -21.39 1.87 Allowed 'Trans proline' 0 CA--C 1.535 0.527 0 C-N-CA 123.67 2.913 . . . . 0.0 116.388 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' HG3' ' ND1' ' A' ' 24' ' ' HIS . 1.1 mt-10 -131.6 -18.52 2.78 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 119.535 -0.866 . . . . 0.0 113.217 -177.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.77 ' O ' ' N ' ' A' ' 9' ' ' LYS . 2.1 p -133.54 117.51 14.33 Favored Pre-proline 0 C--O 1.22 -0.496 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.971 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -38.74 32.96 0.0 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 1 C-N-CA 126.401 4.734 . . . . 0.0 117.015 -178.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.77 ' N ' ' O ' ' A' ' 7' ' ' CYS . 9.2 tptt -90.88 107.81 19.43 Favored 'General case' 0 N--CA 1.424 -1.733 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 176.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MMO . . . . . 0.513 ' HC1' ' HA ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.528 ' CE1' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -152.29 135.06 15.48 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 113.349 -1.751 . . . . 0.0 107.171 -174.513 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -139.39 91.42 2.49 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.6 m -82.38 -22.48 35.43 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.815 1.042 . . . . 0.0 113.815 -176.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' B3D . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -60.95 -33.34 73.03 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 114.86 -1.064 . . . . 0.0 113.017 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.786 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 1.5 tt -84.42 -33.74 23.65 Favored 'General case' 0 C--N 1.349 0.545 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.587 ' O ' HG13 ' A' ' 21' ' ' ILE . 28.5 t -59.82 -53.19 60.83 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 177.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.87 ' O ' ' HB ' ' A' ' 23' ' ' THR . 72.8 t60 -60.58 -41.49 94.77 Favored 'General case' 0 C--N 1.348 0.506 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.744 HG23 HD23 ' A' ' 17' ' ' LEU . 2.0 pp -98.5 -15.32 7.46 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.157 -178.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' B3K . . . . . 0.574 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.87 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.1 m -98.0 -45.62 6.2 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.438 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.608 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 11.9 m-70 -62.35 -28.33 69.68 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 122.805 1.288 . . . . 0.0 109.223 176.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 63.66 131.3 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 114.329 -1.305 . . . . 0.0 112.185 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -110.1 -45.17 3.64 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.242 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -112.49 115.85 29.32 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.197 0.523 . . . . 0.0 110.828 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.4 mttt . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.389 0.137 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.51 ' HA ' ' HM1' ' A' ' 3' ' ' MAA . 80.1 m-85 -77.79 149.84 34.39 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 118.787 -0.625 . . . . 0.0 111.308 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MAA . . . . . 0.518 ' HB1' ' NE ' ' A' ' 10' ' ' MMO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.729 ' HB3' ' CN ' ' A' ' 10' ' ' MMO . 5.2 t -75.71 144.69 77.25 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 113.477 -1.692 . . . . 0.0 113.255 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.453 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 2.0 Cg_endo -87.6 -21.36 1.84 Allowed 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 123.729 2.953 . . . . 0.0 116.146 -178.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -129.17 -19.14 3.57 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 -177.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.624 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.6 p -137.71 117.47 10.17 Favored Pre-proline 0 N--CA 1.471 0.606 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 178.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.98 43.67 0.03 OUTLIER 'Trans proline' 0 C--N 1.367 1.521 0 C-N-CA 125.297 3.998 . . . . 0.0 115.584 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.943 ' N ' ' HC1' ' A' ' 10' ' ' MMO . 19.6 tptt -72.39 -38.07 68.55 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 118.716 -0.659 . . . . 0.0 111.422 177.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MMO . . . . . 0.943 ' HC1' ' N ' ' A' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.541 ' CE1' ' HB3' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -128.61 -86.78 0.56 Allowed 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.226 -174.586 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' NLE . . . . . 0.477 ' HD2' ' O ' ' A' ' 12' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.405 ' H ' ' H ' ' A' ' 12' ' ' NLE . 95.2 mtt180 -125.88 137.66 53.75 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 120.678 0.275 . . . . 0.0 110.612 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.7 m -91.49 -40.09 11.58 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.19 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' B3D . . . . . 0.475 ' HB ' ' OG ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -59.31 -39.27 82.53 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.49 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.777 ' HA ' ' HB3' ' A' ' 20' ' ' HIS . 17.2 tp -76.22 -37.53 57.62 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 123.319 0.387 . . . . 0.0 111.752 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.706 ' O ' ' HG3' ' A' ' 22' ' ' B3K . 66.2 m -55.11 -53.92 49.82 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.906 ' O ' ' HB ' ' A' ' 23' ' ' THR . 76.0 t60 -54.88 -44.72 74.32 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -177.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.619 ' HA ' ' HB2' ' A' ' 24' ' ' HIS . 2.1 pp -94.64 -26.17 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.887 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.047 -177.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' B3K . . . . . 0.706 ' HG3' ' O ' ' A' ' 18' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.906 ' HB ' ' O ' ' A' ' 20' ' ' HIS . 2.8 m -98.98 -45.95 5.78 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 121.131 -0.228 . . . . 0.0 111.282 -178.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.619 ' HB2' ' HA ' ' A' ' 21' ' ' ILE . 6.8 m-70 -59.62 -28.51 67.27 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 121.623 0.725 . . . . 0.0 111.283 178.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' B3Q . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' A' ' 22' ' ' B3K . 2.4 m120 -92.25 -40.28 11.05 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 123.325 0.391 . . . . 0.0 111.494 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -99.8 -41.84 7.08 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.384 0.428 . . . . 0.0 111.236 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -116.25 115.77 26.57 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.203 0.525 . . . . 0.0 110.782 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_