data_2i28_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 2i28 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.764 0.316 . . . . 0.0 111.268 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.7 m -88.07 -41.23 13.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.089 0.471 . . . . 0.0 110.405 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 t -80.57 6.99 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.757 -176.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 t -117.98 116.99 35.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.588 ' O ' HG23 ' A' ' 10' ' ' VAL . 89.1 Cg_exo -48.26 -49.4 14.33 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.549 2.833 . . . . 0.0 114.654 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.553 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 47.9 Cg_exo -58.42 -25.06 71.8 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 122.175 1.917 . . . . 0.0 113.767 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.0 t -102.49 -25.53 13.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.1 0.476 . . . . 0.0 110.491 -178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.85 -16.33 63.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.502 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 6' ' ' PRO . 42.6 t -69.8 -34.0 58.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.823 0.344 . . . . 0.0 110.271 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 48.6 mt -61.49 -67.86 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.76 0.791 . . . . 0.0 110.099 176.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 11.0 t80 167.5 51.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.52 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 35.0 t . . . . . 0 CA--C 1.527 0.071 0 CA-C-N 113.929 -1.487 . . . . 0.0 108.529 -163.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 CA--C 1.529 0.159 0 CA-C-O 120.504 0.193 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.8 m -78.79 -8.81 59.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 m -99.6 -13.85 19.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 t -110.75 121.34 41.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-O 120.826 0.346 . . . . 0.0 110.121 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.703 ' O ' HG21 ' A' ' 10' ' ' VAL . 88.6 Cg_exo -47.97 -51.58 9.68 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.059 2.506 . . . . 0.0 114.397 -174.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.632 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 52.6 Cg_exo -58.44 -20.52 49.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 122.293 1.995 . . . . 0.0 114.041 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 t -104.7 -20.21 13.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.258 0.551 . . . . 0.0 110.035 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.47 -10.39 57.52 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.968 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.703 HG21 ' O ' ' A' ' 6' ' ' PRO . 85.7 t -72.67 -35.3 49.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 175.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.515 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 38.8 mt -55.08 -68.37 0.2 Allowed 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.754 0.788 . . . . 0.0 110.023 176.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.515 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 5.6 t80 162.56 51.23 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.456 -0.174 0 CA-C-N 113.954 -1.475 . . . . 0.0 109.022 -161.766 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.584 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.226 -0.141 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.3 m -103.98 -2.5 25.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.959 0.409 . . . . 0.0 110.231 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 p -119.35 -22.64 6.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.666 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.529 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 13.3 t -96.99 126.81 41.12 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.042 0.449 . . . . 0.0 110.335 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.569 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 85.5 Cg_exo -50.3 -45.32 34.49 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.396 2.731 . . . . 0.0 115.21 -175.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -47.94 -29.52 11.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 C-N-CA 122.888 2.392 . . . . 0.0 114.488 -175.475 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.8 p -127.67 -18.24 4.38 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.529 ' HB1' ' O ' ' A' ' 5' ' ' THR . . . -70.93 -18.42 62.65 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.318 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 6' ' ' PRO . 73.4 t -70.97 -35.84 61.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 177.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.85 -68.84 0.2 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.565 0.698 . . . . 0.0 110.003 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 22.5 t80 169.04 52.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 2' ' ' CYS . 72.8 m . . . . . 0 C--N 1.339 0.149 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.433 -165.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 7.8 t . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 120.981 0.42 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.0 m -99.05 -3.32 35.03 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.258 -0.276 . . . . 0.0 110.73 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.5 p -119.76 -28.7 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.87 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.551 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 9.6 t -83.86 121.43 75.97 Favored Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.417 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.607 ' O ' HG23 ' A' ' 10' ' ' VAL . 80.9 Cg_exo -46.46 -47.76 14.8 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.368 2.712 . . . . 0.0 114.847 -176.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 75.0 Cg_exo -45.61 -33.31 9.61 Favored 'Trans proline' 0 C--N 1.362 1.263 0 C-N-CA 122.667 2.244 . . . . 0.0 114.642 -176.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 p -123.28 -12.45 7.83 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.221 -0.591 . . . . 0.0 111.934 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -77.12 -12.05 59.89 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.702 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 6' ' ' PRO . 42.0 t -80.85 -22.25 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.229 178.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 26.6 mt -66.34 -65.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.761 0.791 . . . . 0.0 109.451 172.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 12.9 t80 160.6 58.54 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 112.966 -1.925 . . . . 0.0 106.311 178.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 2' ' ' CYS . 71.3 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 114.407 -1.27 . . . . 0.0 108.81 -164.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.532 ' HA ' HG22 ' A' ' 5' ' ' THR . 1.7 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.8 m -90.91 -17.52 26.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.055 0.455 . . . . 0.0 110.227 173.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.9 p -112.97 4.11 16.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.373 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.532 HG22 ' HA ' ' A' ' 2' ' ' CYS . 14.3 t -121.81 132.16 24.29 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 120.858 0.361 . . . . 0.0 110.69 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.574 ' O ' HG21 ' A' ' 10' ' ' VAL . 80.6 Cg_exo -49.15 -46.39 25.86 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 123.768 2.979 . . . . 0.0 114.923 -177.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 9.8 Cg_endo -54.45 -18.87 15.93 Favored 'Trans proline' 0 C--N 1.362 1.252 0 C-N-CA 122.38 2.053 . . . . 0.0 113.963 -176.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 20.0 m -120.62 -35.5 3.37 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.311 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.79 -10.1 34.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.574 HG21 ' O ' ' A' ' 6' ' ' PRO . 84.2 t -82.63 -29.95 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.414 177.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 14.3 mt -67.35 -66.94 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.65 0.738 . . . . 0.0 109.61 174.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.547 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 6.2 t80 166.97 59.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 12' ' ' TYR . 24.6 m . . . . . 0 N--CA 1.463 0.18 0 CA-C-N 114.225 -1.352 . . . . 0.0 109.624 -164.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 121.127 0.489 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 42.5 t -82.13 -22.91 35.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.198 0.523 . . . . 0.0 110.166 177.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.3 p -84.7 22.43 1.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.74 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.459 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 3.1 t -148.51 118.59 4.17 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 120.759 0.314 . . . . 0.0 110.612 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.539 ' O ' HG22 ' A' ' 10' ' ' VAL . 6.3 Cg_exo -44.32 -49.39 8.91 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 124.021 3.147 . . . . 0.0 114.919 -175.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.438 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 53.2 Cg_exo -56.58 -27.94 72.04 Favored 'Trans proline' 0 C--N 1.363 1.341 0 C-N-CA 122.171 1.914 . . . . 0.0 113.685 -177.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 45.6 t -98.15 -20.21 17.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.236 0.541 . . . . 0.0 109.859 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -71.54 -16.72 62.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.759 175.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 6' ' ' PRO . 58.0 t -66.31 -37.34 79.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.015 175.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.8 mt -58.95 -69.03 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 122.139 0.971 . . . . 0.0 109.939 175.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 20.9 t80 173.42 45.02 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 60.4 m . . . . . 0 CA--C 1.521 -0.147 0 CA-C-N 113.715 -1.584 . . . . 0.0 109.667 -165.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 1.1 m . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 111.508 0.188 . . . . 0.0 111.508 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 m -88.1 -36.59 16.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.944 0.402 . . . . 0.0 109.939 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.9 p -84.24 -6.57 59.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.043 -177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 9.8 t -113.62 118.41 43.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.415 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.621 ' O ' HG23 ' A' ' 10' ' ' VAL . 76.7 Cg_exo -49.31 -49.26 15.97 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 123.09 2.527 . . . . 0.0 114.587 -176.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 50.6 Cg_exo -58.19 -31.06 92.54 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 122.179 1.919 . . . . 0.0 114.197 -176.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.5 t -96.6 -18.77 19.52 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.29 0.567 . . . . 0.0 109.736 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 5' ' ' THR . . . -74.21 -16.88 60.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.83 176.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 6' ' ' PRO . 57.7 t -66.97 -37.73 79.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.207 176.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -56.22 -70.0 0.13 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.887 0.851 . . . . 0.0 110.002 176.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.0 t80 170.21 52.08 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 37.4 t . . . . . 0 N--CA 1.451 -0.411 0 CA-C-N 113.919 -1.492 . . . . 0.0 108.279 -163.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.966 0.412 . . . . 0.0 110.795 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.9 m -82.52 -38.59 23.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.01 0.433 . . . . 0.0 110.544 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 m -79.53 -10.09 59.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.975 -174.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 t -100.52 118.2 61.44 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.824 0.345 . . . . 0.0 110.527 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.618 ' O ' HG21 ' A' ' 10' ' ' VAL . 89.2 Cg_exo -49.34 -50.51 12.77 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.326 2.684 . . . . 0.0 114.64 -175.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 25.9 Cg_endo -63.28 -7.71 12.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 122.17 1.913 . . . . 0.0 113.881 -177.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.1 t -115.36 -30.76 6.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.999 0.428 . . . . 0.0 110.556 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.97 -13.83 62.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.528 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.618 HG21 ' O ' ' A' ' 6' ' ' PRO . 75.8 t -71.97 -34.27 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 110.427 176.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.9 mt -62.37 -65.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.736 0.779 . . . . 0.0 110.376 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 13.3 t80 168.11 51.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 46.3 t . . . . . 0 N--CA 1.456 -0.138 0 CA-C-N 113.863 -1.517 . . . . 0.0 108.805 -164.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.0 t . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 120.951 0.405 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.6 t -71.82 -11.74 60.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.993 0.425 . . . . 0.0 110.939 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 p -115.72 21.65 13.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.921 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.539 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 13.8 t -137.17 126.35 15.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.149 176.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.519 ' O ' HG22 ' A' ' 10' ' ' VAL . 80.8 Cg_exo -47.08 -46.02 20.03 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.65 2.9 . . . . 0.0 114.971 -176.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.432 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 57.8 Cg_exo -43.98 -33.87 5.82 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 122.815 2.343 . . . . 0.0 114.816 -176.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.2 p -129.02 -7.42 4.91 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.544 -0.462 . . . . 0.0 112.135 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.748 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -71.77 -23.8 61.65 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.929 -0.309 . . . . 0.0 111.186 176.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 6' ' ' PRO . 39.3 t -71.11 -25.74 26.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.777 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.6 mt -66.16 -67.8 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.877 0.846 . . . . 0.0 109.618 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -177.65 50.84 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 113.562 -1.654 . . . . 0.0 107.231 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.748 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 21.8 m . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.282 -169.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.3 m . . . . . 0 C--O 1.233 0.188 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.3 m -84.82 -33.82 22.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.145 0.498 . . . . 0.0 110.116 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.7 p -85.86 -10.61 55.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.038 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.444 ' OG1' ' HD2' ' A' ' 7' ' ' PRO . 14.0 t -118.36 133.99 23.46 Favored Pre-proline 0 C--N 1.326 -0.453 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.221 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.441 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 73.1 Cg_exo -49.87 -47.33 23.8 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.463 2.775 . . . . 0.0 114.606 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.444 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 81.2 Cg_exo -44.97 -27.18 2.4 Favored 'Trans proline' 0 C--N 1.366 1.458 0 C-N-CA 122.79 2.327 . . . . 0.0 114.195 -177.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 27.4 m -114.53 -32.16 5.98 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.068 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.66 -14.6 58.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 6' ' ' PRO . 87.7 t -79.03 -27.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.769 178.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.53 -66.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.945 0.878 . . . . 0.0 109.535 174.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.3 t80 172.24 55.57 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.029 -1.896 . . . . 0.0 106.439 177.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 41.9 t . . . . . 0 CA--C 1.529 0.146 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.943 -165.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.461 0.083 0 CA-C-O 121.159 0.504 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.502 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 47.1 t -78.32 -31.58 48.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 m -82.97 4.85 24.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.97 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.469 HG23 ' HB3' ' A' ' 8' ' ' CYS . 10.1 t -118.81 120.28 31.65 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.558 ' O ' HG21 ' A' ' 10' ' ' VAL . 80.2 Cg_exo -45.85 -50.4 9.72 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.637 2.891 . . . . 0.0 114.671 -174.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 14.2 Cg_endo -60.03 -21.45 65.24 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.118 1.879 . . . . 0.0 113.657 -176.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.469 ' HB3' HG23 ' A' ' 5' ' ' THR . 47.9 t -105.98 -24.89 12.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.983 0.42 . . . . 0.0 110.367 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.51 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -68.09 -19.17 64.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.876 177.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.558 HG21 ' O ' ' A' ' 6' ' ' PRO . 97.3 t -66.03 -37.94 80.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.414 176.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.6 mt -58.39 -67.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 122.016 0.913 . . . . 0.0 110.503 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.8 t80 172.5 53.71 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 86.2 m . . . . . 0 N--CA 1.454 -0.253 0 CA-C-N 114.066 -1.425 . . . . 0.0 109.591 -166.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.716 0.293 . . . . 0.0 111.763 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.4 m -114.24 5.5 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.031 0.443 . . . . 0.0 110.097 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 p -118.54 -32.44 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.804 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.544 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 2.5 t -88.21 118.3 69.39 Favored Pre-proline 0 C--O 1.235 0.332 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.405 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.429 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 87.4 Cg_exo -47.87 -46.87 20.37 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.508 2.805 . . . . 0.0 114.815 -176.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.451 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 72.5 Cg_exo -44.15 -35.11 7.47 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.756 2.304 . . . . 0.0 114.619 -177.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 p -116.47 -26.72 6.99 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.434 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 5' ' ' THR . . . -68.75 -16.52 63.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.686 0.279 . . . . 0.0 111.133 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 11' ' ' LEU . 8.6 p -68.17 -38.06 79.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.141 0.496 . . . . 0.0 110.224 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.2 mt -60.32 -64.38 0.97 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.913 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.473 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 7.6 t80 165.57 52.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 112.929 -1.941 . . . . 0.0 106.483 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 2' ' ' CYS . 95.5 m . . . . . 0 C--O 1.233 0.228 0 CA-C-N 113.979 -1.464 . . . . 0.0 109.632 -166.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.645 ' HA ' HG22 ' A' ' 5' ' ' THR . 1.3 m . . . . . 0 N--CA 1.463 0.212 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.502 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 48.4 t -82.06 -20.92 37.27 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.181 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.3 m -98.04 1.95 48.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.289 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.645 HG22 ' HA ' ' A' ' 2' ' ' CYS . 13.1 t -125.28 127.97 24.86 Favored Pre-proline 0 C--N 1.326 -0.432 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.796 -178.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.499 ' O ' HG21 ' A' ' 10' ' ' VAL . 83.5 Cg_exo -48.29 -46.19 23.76 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.514 2.809 . . . . 0.0 114.562 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 73.8 Cg_exo -51.95 -24.3 18.79 Favored 'Trans proline' 0 C--N 1.364 1.368 0 C-N-CA 122.21 1.94 . . . . 0.0 113.872 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.576 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 37.0 m -109.94 -26.41 9.77 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.576 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -66.24 -15.04 62.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.734 -178.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.499 HG21 ' O ' ' A' ' 6' ' ' PRO . 58.4 t -73.77 -32.81 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 110.091 176.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 mt -66.33 -64.37 0.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.782 0.801 . . . . 0.0 110.28 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 8.8 t80 169.38 55.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.368 -1.742 . . . . 0.0 106.427 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 38.9 m . . . . . 0 C--N 1.335 -0.054 0 CA-C-N 114.236 -1.347 . . . . 0.0 109.865 -165.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 121.239 0.542 . . . . 0.0 110.843 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 4.2 t -102.32 -16.27 16.31 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.1 p -84.62 -19.87 32.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.759 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.453 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 2.7 t -106.15 116.41 59.5 Favored Pre-proline 0 N--CA 1.452 -0.374 0 CA-C-O 120.992 0.425 . . . . 0.0 110.184 177.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.59 ' O ' HG22 ' A' ' 10' ' ' VAL . 80.5 Cg_exo -48.0 -46.01 23.32 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.672 2.914 . . . . 0.0 115.275 -175.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 69.8 Cg_exo -45.09 -40.55 15.79 Favored 'Trans proline' 0 C--N 1.363 1.317 0 C-N-CA 122.443 2.095 . . . . 0.0 114.52 -176.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 p -107.2 -11.65 15.55 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.172 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -71.38 -22.09 61.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.353 175.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 6' ' ' PRO . 66.6 t -71.51 -20.51 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.918 0.389 . . . . 0.0 110.758 177.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.7 mt -70.08 -70.48 0.29 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 122.095 0.95 . . . . 0.0 109.406 174.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.7 t80 178.05 57.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.398 -1.728 . . . . 0.0 106.426 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.539 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 60.3 m . . . . . 0 N--CA 1.457 -0.098 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.353 -166.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.462 ' HA ' HG22 ' A' ' 5' ' ' THR . 3.5 p . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 120.658 0.266 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m -87.99 -30.76 19.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.047 0.451 . . . . 0.0 110.126 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 p -85.64 8.83 18.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.235 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 2' ' ' CYS . 12.2 t -138.13 133.95 17.59 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.52 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 82.4 Cg_exo -52.32 -47.11 28.62 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.343 2.695 . . . . 0.0 115.428 -172.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 4.8 Cg_endo -51.56 -12.46 1.04 Allowed 'Trans proline' 0 C--N 1.364 1.387 0 C-N-CA 122.971 2.448 . . . . 0.0 115.423 -173.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 43.2 t -127.85 -21.66 3.66 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.837 -0.539 . . . . 0.0 111.423 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.15 -9.23 59.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.438 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.9 t -76.26 -33.32 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.438 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 39.7 mt -60.62 -68.83 0.26 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.798 0.809 . . . . 0.0 109.683 172.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 25.0 t80 163.58 50.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 12' ' ' TYR . 15.9 m . . . . . 0 N--CA 1.462 0.147 0 CA-C-N 113.911 -1.495 . . . . 0.0 109.511 -163.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 CA--C 1.531 0.212 0 CA-C-O 120.778 0.323 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.2 m -75.4 -18.74 59.86 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.218 -0.301 . . . . 0.0 111.342 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.5 m -96.73 11.84 34.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t -130.71 126.83 22.06 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.484 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 77.2 Cg_exo -54.38 -54.09 5.18 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.115 2.544 . . . . 0.0 114.604 -172.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.484 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 52.7 Cg_endo -70.94 14.16 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.791 1.661 . . . . 0.0 113.875 -176.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.0 t -129.02 -26.45 2.63 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.974 0.416 . . . . 0.0 110.09 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.06 -13.0 59.19 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.808 174.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.96 -31.15 39.53 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.098 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.244 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 15.3 mt -61.07 -67.19 0.43 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.845 0.831 . . . . 0.0 109.329 173.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 22.5 t80 163.93 45.78 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 112.941 -1.936 . . . . 0.0 105.902 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.453 -0.277 0 CA-C-N 113.891 -1.504 . . . . 0.0 108.812 -162.444 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.8 t . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.978 0.418 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.3 m -83.51 -9.27 59.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.041 -0.412 . . . . 0.0 110.874 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.7 p -113.2 -23.65 9.84 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.58 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 12.8 t -89.55 119.87 69.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.521 -177.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.527 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 79.4 Cg_exo -43.22 -48.52 7.98 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.774 2.983 . . . . 0.0 115.382 -175.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -46.28 -39.47 21.3 Favored 'Trans proline' 0 C--N 1.364 1.368 0 C-N-CA 123.063 2.509 . . . . 0.0 114.571 -176.141 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.2 p -115.34 -19.81 10.57 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.04 -0.664 . . . . 0.0 111.435 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.58 ' HB1' ' O ' ' A' ' 5' ' ' THR . . . -71.1 -20.91 62.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 175.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.74 -37.03 78.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.253 0.549 . . . . 0.0 110.444 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 15.4 mt -60.77 -61.46 2.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.875 177.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 9.2 t80 163.24 51.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 112.856 -1.974 . . . . 0.0 106.542 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 19.1 t . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.819 -166.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.565 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.219 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.7 m -100.15 -35.13 9.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.081 0.467 . . . . 0.0 110.386 174.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.8 t -83.37 -7.35 59.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.387 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.413 ' CG2' ' HA ' ' A' ' 2' ' ' CYS . 3.1 t -105.71 111.72 64.64 Favored Pre-proline 0 C--O 1.236 0.363 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.503 ' O ' HG22 ' A' ' 10' ' ' VAL . 78.1 Cg_exo -49.96 -50.71 12.56 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.245 2.63 . . . . 0.0 114.395 -175.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 17.6 Cg_endo -59.84 -11.17 14.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.292 1.995 . . . . 0.0 114.033 -177.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.9 t -114.91 -20.11 10.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.002 0.429 . . . . 0.0 110.379 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.91 -16.9 59.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.611 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 6' ' ' PRO . 48.7 t -70.23 -29.12 38.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.46 177.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.3 mt -64.21 -68.13 0.38 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.705 0.765 . . . . 0.0 109.76 176.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.431 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 6.6 t80 168.92 50.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.565 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 20.6 m . . . . . 0 N--CA 1.456 -0.159 0 CA-C-N 113.91 -1.496 . . . . 0.0 109.232 -163.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 121.131 0.491 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 51.1 t -74.91 -25.54 58.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.147 178.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 p -83.73 -8.33 59.28 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.416 ' OG1' ' HD2' ' A' ' 7' ' ' PRO . 3.2 t -108.88 129.1 24.33 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.934 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.587 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 73.2 Cg_exo -50.24 -50.64 12.9 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.607 2.871 . . . . 0.0 114.922 -175.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.587 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 30.2 Cg_exo -64.72 -2.72 5.67 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.171 1.914 . . . . 0.0 113.443 -177.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.0 t -121.76 -34.07 3.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.777 0.322 . . . . 0.0 110.328 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.944 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -68.87 -14.74 63.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.588 175.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.592 HG12 ' N ' ' A' ' 11' ' ' LEU . 8.3 p -69.46 -37.58 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.279 178.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.592 ' N ' HG12 ' A' ' 10' ' ' VAL . 14.4 mt -65.12 -64.11 0.94 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.873 179.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 179.69 41.54 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 112.866 -1.97 . . . . 0.0 107.926 -176.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.944 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 59.6 m . . . . . 0 N--CA 1.456 -0.163 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.927 -165.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.099 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.6 m -87.49 -18.46 29.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.914 0.388 . . . . 0.0 110.463 174.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 t -102.54 7.66 40.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.01 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.487 ' CG2' ' HA ' ' A' ' 2' ' ' CYS . 2.1 t -122.37 114.95 30.17 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.654 ' O ' HG22 ' A' ' 10' ' ' VAL . 86.4 Cg_exo -48.48 -50.56 12.02 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.268 2.645 . . . . 0.0 114.56 -174.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.602 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 51.8 Cg_exo -57.73 -28.99 84.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 122.244 1.962 . . . . 0.0 113.722 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.5 t -97.59 -23.67 15.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.322 0.582 . . . . 0.0 110.17 -178.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.72 -18.41 62.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.612 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 6' ' ' PRO . 98.3 t -68.77 -33.66 60.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 177.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 28.1 mt -61.72 -68.45 0.32 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.842 0.83 . . . . 0.0 109.484 175.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 3.9 t80 168.71 51.09 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.005 -1.907 . . . . 0.0 106.039 177.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 52.8 m . . . . . 0 C--O 1.227 -0.094 0 CA-C-N 114.277 -1.329 . . . . 0.0 109.316 -163.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.935 0 N-CA-C 112.05 -0.42 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.52 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -84.5 -1.06 55.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.764 0.316 . . . . 0.0 111.268 -178.168 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.7 m -88.07 -41.23 13.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.089 0.471 . . . . 0.0 110.405 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 t -80.57 6.99 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.757 -176.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 t -117.98 116.99 35.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.588 ' O ' HG23 ' A' ' 10' ' ' VAL . 89.1 Cg_exo -48.26 -49.4 14.33 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.549 2.833 . . . . 0.0 114.654 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.553 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 47.9 Cg_exo -58.42 -25.06 71.8 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 122.175 1.917 . . . . 0.0 113.767 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.0 t -102.49 -25.53 13.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.1 0.476 . . . . 0.0 110.491 -178.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.85 -16.33 63.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.502 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 6' ' ' PRO . 42.6 t -69.8 -34.0 58.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.823 0.344 . . . . 0.0 110.271 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 48.6 mt -61.49 -67.86 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.76 0.791 . . . . 0.0 110.099 176.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.405 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 11.0 t80 167.5 51.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.52 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 35.0 t 68.64 24.05 6.96 Favored 'General case' 0 CA--C 1.527 0.071 0 CA-C-N 113.929 -1.487 . . . . 0.0 108.529 -163.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.13 0 O-C-N 121.829 -0.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.902 0 N-CA-C 112.229 -0.348 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.39 -28.8 67.42 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.799 -0.236 . . . . 0.0 111.236 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.8 m -78.79 -8.81 59.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 m -99.6 -13.85 19.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 t -110.75 121.34 41.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-O 120.826 0.346 . . . . 0.0 110.121 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.703 ' O ' HG21 ' A' ' 10' ' ' VAL . 88.6 Cg_exo -47.97 -51.58 9.68 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.059 2.506 . . . . 0.0 114.397 -174.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.632 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 52.6 Cg_exo -58.44 -20.52 49.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 122.293 1.995 . . . . 0.0 114.041 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 t -104.7 -20.21 13.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.258 0.551 . . . . 0.0 110.035 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.47 -10.39 57.52 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.968 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.703 HG21 ' O ' ' A' ' 6' ' ' PRO . 85.7 t -72.67 -35.3 49.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 175.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.515 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 38.8 mt -55.08 -68.37 0.2 Allowed 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.754 0.788 . . . . 0.0 110.023 176.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.515 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 5.6 t80 162.56 51.23 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.6 m 63.75 35.94 10.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 113.954 -1.475 . . . . 0.0 109.022 -161.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.094 0 O-C-N 122.159 -0.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.484 1.858 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.584 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -80.9 2.35 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 117.232 0.516 . . . . 0.0 112.145 -178.315 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.3 m -103.98 -2.5 25.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.959 0.409 . . . . 0.0 110.231 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 p -119.35 -22.64 6.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.666 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.529 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 13.3 t -96.99 126.81 41.12 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.042 0.449 . . . . 0.0 110.335 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.569 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 85.5 Cg_exo -50.3 -45.32 34.49 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.396 2.731 . . . . 0.0 115.21 -175.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -47.94 -29.52 11.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 C-N-CA 122.888 2.392 . . . . 0.0 114.488 -175.475 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.8 p -127.67 -18.24 4.38 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.529 ' HB1' ' O ' ' A' ' 5' ' ' THR . . . -70.93 -18.42 62.65 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.318 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 6' ' ' PRO . 73.4 t -70.97 -35.84 61.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 177.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.8 mt -57.85 -68.84 0.2 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.565 0.698 . . . . 0.0 110.003 175.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.414 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 22.5 t80 169.04 52.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 2' ' ' CYS . 72.8 m 70.41 19.48 6.36 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.433 -165.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.151 0 O-C-N 122.019 -0.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.412 ' O ' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.484 1.847 0 N-CA-C 112.108 -0.397 . . . . 0.0 112.108 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 7.8 t -77.89 -4.55 47.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.981 0.42 . . . . 0.0 111.062 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.0 m -99.05 -3.32 35.03 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.258 -0.276 . . . . 0.0 110.73 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.5 p -119.76 -28.7 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.87 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.551 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 9.6 t -83.86 121.43 75.97 Favored Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.417 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.607 ' O ' HG23 ' A' ' 10' ' ' VAL . 80.9 Cg_exo -46.46 -47.76 14.8 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.368 2.712 . . . . 0.0 114.847 -176.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 75.0 Cg_exo -45.61 -33.31 9.61 Favored 'Trans proline' 0 C--N 1.362 1.263 0 C-N-CA 122.667 2.244 . . . . 0.0 114.642 -176.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 p -123.28 -12.45 7.83 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.221 -0.591 . . . . 0.0 111.934 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -77.12 -12.05 59.89 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.702 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 6' ' ' PRO . 42.0 t -80.85 -22.25 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.229 178.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 26.6 mt -66.34 -65.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.761 0.791 . . . . 0.0 109.451 172.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 12.9 t80 160.6 58.54 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 112.966 -1.925 . . . . 0.0 106.311 178.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 2' ' ' CYS . 71.3 m 67.96 20.11 9.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.407 -1.27 . . . . 0.0 108.81 -164.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.074 0 O-C-N 122.101 -0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.451 ' O ' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.532 ' HA ' HG22 ' A' ' 5' ' ' THR . 1.7 m -100.67 5.72 43.85 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.8 m -90.91 -17.52 26.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.055 0.455 . . . . 0.0 110.227 173.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.9 p -112.97 4.11 16.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.373 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.532 HG22 ' HA ' ' A' ' 2' ' ' CYS . 14.3 t -121.81 132.16 24.29 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 120.858 0.361 . . . . 0.0 110.69 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.574 ' O ' HG21 ' A' ' 10' ' ' VAL . 80.6 Cg_exo -49.15 -46.39 25.86 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 123.768 2.979 . . . . 0.0 114.923 -177.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 9.8 Cg_endo -54.45 -18.87 15.93 Favored 'Trans proline' 0 C--N 1.362 1.252 0 C-N-CA 122.38 2.053 . . . . 0.0 113.963 -176.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 20.0 m -120.62 -35.5 3.37 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.311 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.79 -10.1 34.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.574 HG21 ' O ' ' A' ' 6' ' ' PRO . 84.2 t -82.63 -29.95 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.414 177.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 14.3 mt -67.35 -66.94 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.65 0.738 . . . . 0.0 109.61 174.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.547 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 6.2 t80 166.97 59.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.547 ' HB2' ' O ' ' A' ' 12' ' ' TYR . 24.6 m 76.0 0.8 3.38 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 114.225 -1.352 . . . . 0.0 109.624 -164.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 O-C-N 121.8 -0.562 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -115.02 -22.83 9.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.127 0.489 . . . . 0.0 110.286 178.568 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 42.5 t -82.13 -22.91 35.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.198 0.523 . . . . 0.0 110.166 177.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.3 p -84.7 22.43 1.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.74 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.459 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 3.1 t -148.51 118.59 4.17 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 120.759 0.314 . . . . 0.0 110.612 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.539 ' O ' HG22 ' A' ' 10' ' ' VAL . 6.3 Cg_exo -44.32 -49.39 8.91 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 124.021 3.147 . . . . 0.0 114.919 -175.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.438 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 53.2 Cg_exo -56.58 -27.94 72.04 Favored 'Trans proline' 0 C--N 1.363 1.341 0 C-N-CA 122.171 1.914 . . . . 0.0 113.685 -177.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 45.6 t -98.15 -20.21 17.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.236 0.541 . . . . 0.0 109.859 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.582 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -71.54 -16.72 62.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.759 175.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 6' ' ' PRO . 58.0 t -66.31 -37.34 79.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.015 175.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.8 mt -58.95 -69.03 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 122.139 0.971 . . . . 0.0 109.939 175.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.431 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 20.9 t80 173.42 45.02 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 60.4 m 70.96 25.98 3.68 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 113.715 -1.584 . . . . 0.0 109.667 -165.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.076 0 CA-C-N 116.585 -0.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' O ' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.485 1.935 0 N-CA-C 112.021 -0.432 . . . . 0.0 112.021 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 1.1 m -129.66 -10.64 4.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.694 -0.298 . . . . 0.0 111.508 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 m -88.1 -36.59 16.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.944 0.402 . . . . 0.0 109.939 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.9 p -84.24 -6.57 59.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.043 -177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 9.8 t -113.62 118.41 43.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.415 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.621 ' O ' HG23 ' A' ' 10' ' ' VAL . 76.7 Cg_exo -49.31 -49.26 15.97 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 123.09 2.527 . . . . 0.0 114.587 -176.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 50.6 Cg_exo -58.19 -31.06 92.54 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 122.179 1.919 . . . . 0.0 114.197 -176.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.5 t -96.6 -18.77 19.52 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.29 0.567 . . . . 0.0 109.736 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.464 ' HB2' ' O ' ' A' ' 5' ' ' THR . . . -74.21 -16.88 60.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.83 176.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 6' ' ' PRO . 57.7 t -66.97 -37.73 79.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.207 176.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -56.22 -70.0 0.13 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.887 0.851 . . . . 0.0 110.002 176.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.0 t80 170.21 52.08 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 37.4 t 68.16 27.0 6.94 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 113.919 -1.492 . . . . 0.0 108.279 -163.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.073 0 O-C-N 121.681 -0.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 N-CA-C 112.216 -0.354 . . . . 0.0 112.216 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -107.1 -3.32 20.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.966 0.412 . . . . 0.0 110.795 -179.724 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.9 m -82.52 -38.59 23.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.01 0.433 . . . . 0.0 110.544 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 m -79.53 -10.09 59.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.975 -174.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.6 t -100.52 118.2 61.44 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.824 0.345 . . . . 0.0 110.527 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.618 ' O ' HG21 ' A' ' 10' ' ' VAL . 89.2 Cg_exo -49.34 -50.51 12.77 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.326 2.684 . . . . 0.0 114.64 -175.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 25.9 Cg_endo -63.28 -7.71 12.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 122.17 1.913 . . . . 0.0 113.881 -177.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.1 t -115.36 -30.76 6.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.999 0.428 . . . . 0.0 110.556 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.97 -13.83 62.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.528 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.618 HG21 ' O ' ' A' ' 6' ' ' PRO . 75.8 t -71.97 -34.27 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 110.427 176.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.9 mt -62.37 -65.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.736 0.779 . . . . 0.0 110.376 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.426 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 13.3 t80 168.11 51.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 46.3 t 67.98 22.43 8.54 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 113.863 -1.517 . . . . 0.0 108.805 -164.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.152 0 O-C-N 121.734 -0.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.9 0 N-CA-C 112.08 -0.408 . . . . 0.0 112.08 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.0 t -72.82 -35.34 67.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.951 0.405 . . . . 0.0 110.992 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.6 t -71.82 -11.74 60.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.993 0.425 . . . . 0.0 110.939 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 p -115.72 21.65 13.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.921 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.539 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 13.8 t -137.17 126.35 15.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.149 176.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.519 ' O ' HG22 ' A' ' 10' ' ' VAL . 80.8 Cg_exo -47.08 -46.02 20.03 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.65 2.9 . . . . 0.0 114.971 -176.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.432 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 57.8 Cg_exo -43.98 -33.87 5.82 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 122.815 2.343 . . . . 0.0 114.816 -176.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.2 p -129.02 -7.42 4.91 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.544 -0.462 . . . . 0.0 112.135 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.748 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -71.77 -23.8 61.65 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.929 -0.309 . . . . 0.0 111.186 176.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 6' ' ' PRO . 39.3 t -71.11 -25.74 26.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.777 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.6 mt -66.16 -67.8 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.877 0.846 . . . . 0.0 109.618 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -177.65 50.84 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 113.562 -1.654 . . . . 0.0 107.231 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.748 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 21.8 m 63.24 29.0 15.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.282 -169.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.114 0 O-C-N 122.036 -0.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.411 ' O ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.487 2.036 0 N-CA-C 112.085 -0.406 . . . . 0.0 112.085 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.503 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.3 m -93.53 -3.09 53.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.666 -0.314 . . . . 0.0 111.744 -179.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.3 m -84.82 -33.82 22.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.145 0.498 . . . . 0.0 110.116 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.7 p -85.86 -10.61 55.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.038 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.444 ' OG1' ' HD2' ' A' ' 7' ' ' PRO . 14.0 t -118.36 133.99 23.46 Favored Pre-proline 0 C--N 1.326 -0.453 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.221 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.441 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 73.1 Cg_exo -49.87 -47.33 23.8 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.463 2.775 . . . . 0.0 114.606 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.444 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 81.2 Cg_exo -44.97 -27.18 2.4 Favored 'Trans proline' 0 C--N 1.366 1.458 0 C-N-CA 122.79 2.327 . . . . 0.0 114.195 -177.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.503 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 27.4 m -114.53 -32.16 5.98 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.068 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.66 -14.6 58.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 6' ' ' PRO . 87.7 t -79.03 -27.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.769 178.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.53 -66.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.945 0.878 . . . . 0.0 109.535 174.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.3 t80 172.24 55.57 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.029 -1.896 . . . . 0.0 106.439 177.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 41.9 t 70.53 6.63 5.9 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.943 -165.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.164 0 O-C-N 121.694 -0.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.05 -22.1 49.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.159 0.504 . . . . 0.0 110.352 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.502 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 47.1 t -78.32 -31.58 48.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 m -82.97 4.85 24.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.97 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.469 HG23 ' HB3' ' A' ' 8' ' ' CYS . 10.1 t -118.81 120.28 31.65 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.558 ' O ' HG21 ' A' ' 10' ' ' VAL . 80.2 Cg_exo -45.85 -50.4 9.72 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.637 2.891 . . . . 0.0 114.671 -174.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 14.2 Cg_endo -60.03 -21.45 65.24 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.118 1.879 . . . . 0.0 113.657 -176.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.469 ' HB3' HG23 ' A' ' 5' ' ' THR . 47.9 t -105.98 -24.89 12.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.983 0.42 . . . . 0.0 110.367 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.51 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -68.09 -19.17 64.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.876 177.162 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.558 HG21 ' O ' ' A' ' 6' ' ' PRO . 97.3 t -66.03 -37.94 80.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.414 176.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.6 mt -58.39 -67.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 122.016 0.913 . . . . 0.0 110.503 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.8 t80 172.5 53.71 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 86.2 m 69.12 18.64 8.21 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 114.066 -1.425 . . . . 0.0 109.591 -166.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.064 0 O-C-N 122.065 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.953 0 N-CA-C 112.099 -0.4 . . . . 0.0 112.099 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -93.18 17.04 11.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 122.588 -0.36 . . . . 0.0 111.763 -177.148 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.4 m -114.24 5.5 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.031 0.443 . . . . 0.0 110.097 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 p -118.54 -32.44 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.804 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.544 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 2.5 t -88.21 118.3 69.39 Favored Pre-proline 0 C--O 1.235 0.332 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.405 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.429 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 87.4 Cg_exo -47.87 -46.87 20.37 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.508 2.805 . . . . 0.0 114.815 -176.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.451 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 72.5 Cg_exo -44.15 -35.11 7.47 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.756 2.304 . . . . 0.0 114.619 -177.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 p -116.47 -26.72 6.99 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.434 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 5' ' ' THR . . . -68.75 -16.52 63.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.686 0.279 . . . . 0.0 111.133 177.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 11' ' ' LEU . 8.6 p -68.17 -38.06 79.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.141 0.496 . . . . 0.0 110.224 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.2 mt -60.32 -64.38 0.97 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.913 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.473 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 7.6 t80 165.57 52.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 112.929 -1.941 . . . . 0.0 106.483 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 2' ' ' CYS . 95.5 m 72.6 13.86 5.25 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 113.979 -1.464 . . . . 0.0 109.632 -166.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.095 0 O-C-N 122.008 -0.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.645 ' HA ' HG22 ' A' ' 5' ' ' THR . 1.3 m -69.66 -20.54 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.502 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 48.4 t -82.06 -20.92 37.27 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.181 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.3 m -98.04 1.95 48.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.289 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.645 HG22 ' HA ' ' A' ' 2' ' ' CYS . 13.1 t -125.28 127.97 24.86 Favored Pre-proline 0 C--N 1.326 -0.432 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.796 -178.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.499 ' O ' HG21 ' A' ' 10' ' ' VAL . 83.5 Cg_exo -48.29 -46.19 23.76 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.514 2.809 . . . . 0.0 114.562 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.435 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 73.8 Cg_exo -51.95 -24.3 18.79 Favored 'Trans proline' 0 C--N 1.364 1.368 0 C-N-CA 122.21 1.94 . . . . 0.0 113.872 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.576 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 37.0 m -109.94 -26.41 9.77 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.576 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -66.24 -15.04 62.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.734 -178.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.499 HG21 ' O ' ' A' ' 6' ' ' PRO . 58.4 t -73.77 -32.81 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 110.091 176.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.1 mt -66.33 -64.37 0.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.782 0.801 . . . . 0.0 110.28 178.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 8.8 t80 169.38 55.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.368 -1.742 . . . . 0.0 106.427 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 38.9 m 67.52 13.84 9.41 Favored 'General case' 0 C--N 1.335 -0.054 0 CA-C-N 114.236 -1.347 . . . . 0.0 109.865 -165.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.185 0 O-C-N 122.043 -0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.513 ' O ' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.485 1.907 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -101.8 -0.34 34.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.239 0.542 . . . . 0.0 110.843 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.429 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 4.2 t -102.32 -16.27 16.31 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.1 p -84.62 -19.87 32.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.759 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.513 HG22 ' O ' ' A' ' 1' ' ' GLY . 2.7 t -106.15 116.41 59.5 Favored Pre-proline 0 N--CA 1.452 -0.374 0 CA-C-O 120.992 0.425 . . . . 0.0 110.184 177.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.59 ' O ' HG22 ' A' ' 10' ' ' VAL . 80.5 Cg_exo -48.0 -46.01 23.32 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.672 2.914 . . . . 0.0 115.275 -175.147 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.418 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 69.8 Cg_exo -45.09 -40.55 15.79 Favored 'Trans proline' 0 C--N 1.363 1.317 0 C-N-CA 122.443 2.095 . . . . 0.0 114.52 -176.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 p -107.2 -11.65 15.55 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.172 178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 5' ' ' THR . . . -71.38 -22.09 61.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.353 175.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 6' ' ' PRO . 66.6 t -71.51 -20.51 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.918 0.389 . . . . 0.0 110.758 177.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.7 mt -70.08 -70.48 0.29 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 122.095 0.95 . . . . 0.0 109.406 174.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.7 t80 178.05 57.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.398 -1.728 . . . . 0.0 106.426 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.539 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 60.3 m 70.49 13.34 7.43 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.353 -166.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.148 0 O-C-N 121.943 -0.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.868 0 N-CA-C 111.854 -0.498 . . . . 0.0 111.854 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.462 ' HA ' HG22 ' A' ' 5' ' ' THR . 3.5 p -94.32 3.31 55.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.042 0.421 . . . . 0.0 111.188 -177.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m -87.99 -30.76 19.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.047 0.451 . . . . 0.0 110.126 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 p -85.64 8.83 18.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.235 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 2' ' ' CYS . 12.2 t -138.13 133.95 17.59 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.52 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 82.4 Cg_exo -52.32 -47.11 28.62 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.343 2.695 . . . . 0.0 115.428 -172.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 4.8 Cg_endo -51.56 -12.46 1.04 Allowed 'Trans proline' 0 C--N 1.364 1.387 0 C-N-CA 122.971 2.448 . . . . 0.0 115.423 -173.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 43.2 t -127.85 -21.66 3.66 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.837 -0.539 . . . . 0.0 111.423 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.15 -9.23 59.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.438 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 83.9 t -76.26 -33.32 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.438 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 39.7 mt -60.62 -68.83 0.26 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.798 0.809 . . . . 0.0 109.683 172.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.454 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 25.0 t80 163.58 50.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 12' ' ' TYR . 15.9 m 68.89 26.05 5.95 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 113.911 -1.495 . . . . 0.0 109.511 -163.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.195 0 O-C-N 122.229 -0.294 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 112.379 -0.288 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 t -72.44 -24.68 61.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.778 0.323 . . . . 0.0 111.484 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.2 m -75.4 -18.74 59.86 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.218 -0.301 . . . . 0.0 111.342 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.5 m -96.73 11.84 34.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 t -130.71 126.83 22.06 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 177.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.484 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 77.2 Cg_exo -54.38 -54.09 5.18 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.115 2.544 . . . . 0.0 114.604 -172.371 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.484 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 52.7 Cg_endo -70.94 14.16 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.791 1.661 . . . . 0.0 113.875 -176.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.0 t -129.02 -26.45 2.63 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.974 0.416 . . . . 0.0 110.09 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.06 -13.0 59.19 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.808 174.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.8 t -71.96 -31.15 39.53 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.098 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.244 178.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 15.3 mt -61.07 -67.19 0.43 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.845 0.831 . . . . 0.0 109.329 173.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.438 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 22.5 t80 163.93 45.78 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 112.941 -1.936 . . . . 0.0 105.902 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 69.6 m 64.3 39.59 7.17 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 113.891 -1.504 . . . . 0.0 108.812 -162.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.025 0 O-C-N 122.157 -0.339 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 42.8 t -73.37 -19.45 61.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.978 0.418 . . . . 0.0 111.169 -177.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.3 m -83.51 -9.27 59.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.041 -0.412 . . . . 0.0 110.874 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.7 p -113.2 -23.65 9.84 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.58 ' O ' ' HB1' ' A' ' 9' ' ' ALA . 12.8 t -89.55 119.87 69.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.521 -177.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.527 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 79.4 Cg_exo -43.22 -48.52 7.98 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.774 2.983 . . . . 0.0 115.382 -175.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -46.28 -39.47 21.3 Favored 'Trans proline' 0 C--N 1.364 1.368 0 C-N-CA 123.063 2.509 . . . . 0.0 114.571 -176.141 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.2 p -115.34 -19.81 10.57 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.04 -0.664 . . . . 0.0 111.435 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.58 ' HB1' ' O ' ' A' ' 5' ' ' THR . . . -71.1 -20.91 62.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 175.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.74 -37.03 78.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.253 0.549 . . . . 0.0 110.444 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.466 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 15.4 mt -60.77 -61.46 2.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.875 177.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.466 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 9.2 t80 163.24 51.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 112.856 -1.974 . . . . 0.0 106.542 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 19.1 t 64.96 25.77 12.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.819 -166.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.19 0 O-C-N 121.865 -0.522 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.558 ' O ' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.484 1.872 0 N-CA-C 112.107 -0.397 . . . . 0.0 112.107 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.565 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -89.38 11.01 20.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -175.476 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.7 m -100.15 -35.13 9.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.081 0.467 . . . . 0.0 110.386 174.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.8 t -83.37 -7.35 59.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.387 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.558 HG21 ' O ' ' A' ' 1' ' ' GLY . 3.1 t -105.71 111.72 64.64 Favored Pre-proline 0 C--O 1.236 0.363 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.503 ' O ' HG22 ' A' ' 10' ' ' VAL . 78.1 Cg_exo -49.96 -50.71 12.56 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.245 2.63 . . . . 0.0 114.395 -175.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 17.6 Cg_endo -59.84 -11.17 14.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.292 1.995 . . . . 0.0 114.033 -177.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.9 t -114.91 -20.11 10.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.002 0.429 . . . . 0.0 110.379 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.91 -16.9 59.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.611 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 6' ' ' PRO . 48.7 t -70.23 -29.12 38.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.46 177.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.3 mt -64.21 -68.13 0.38 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.705 0.765 . . . . 0.0 109.76 176.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.431 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 6.6 t80 168.92 50.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.565 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 20.6 m 66.93 25.6 9.37 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 113.91 -1.496 . . . . 0.0 109.232 -163.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.119 0 O-C-N 122.07 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 t -96.3 -23.8 16.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.131 0.491 . . . . 0.0 109.679 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.545 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 51.1 t -74.91 -25.54 58.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.147 178.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 p -83.73 -8.33 59.28 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.416 ' OG1' ' HD2' ' A' ' 7' ' ' PRO . 3.2 t -108.88 129.1 24.33 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.934 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.587 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 73.2 Cg_exo -50.24 -50.64 12.9 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.607 2.871 . . . . 0.0 114.922 -175.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.587 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 30.2 Cg_exo -64.72 -2.72 5.67 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.171 1.914 . . . . 0.0 113.443 -177.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.0 t -121.76 -34.07 3.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.777 0.322 . . . . 0.0 110.328 177.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.944 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -68.87 -14.74 63.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.588 175.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.592 HG12 ' N ' ' A' ' 11' ' ' LEU . 8.3 p -69.46 -37.58 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.279 178.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.592 ' N ' HG12 ' A' ' 10' ' ' VAL . 14.4 mt -65.12 -64.11 0.94 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.873 179.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.407 ' HD1' ' HN1' ' A' ' 14' ' ' NH2 . 0.4 OUTLIER 179.69 41.54 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 112.866 -1.97 . . . . 0.0 107.926 -176.732 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.944 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 59.6 m 67.07 14.98 10.01 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.927 -165.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . 0.407 ' HN1' ' HD1' ' A' ' 12' ' ' TYR . . . . . . . . 0 C--N 1.334 -0.102 0 CA-C-N 116.323 -0.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.518 ' O ' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 112.187 -0.365 . . . . 0.0 112.187 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.497 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -75.32 -10.69 59.69 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -176.4 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.6 m -87.49 -18.46 29.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.914 0.388 . . . . 0.0 110.463 174.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 t -102.54 7.66 40.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.01 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.518 HG21 ' O ' ' A' ' 1' ' ' GLY . 2.1 t -122.37 114.95 30.17 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.654 ' O ' HG22 ' A' ' 10' ' ' VAL . 86.4 Cg_exo -48.48 -50.56 12.02 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.268 2.645 . . . . 0.0 114.56 -174.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.602 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 51.8 Cg_exo -57.73 -28.99 84.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 122.244 1.962 . . . . 0.0 113.722 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.5 t -97.59 -23.67 15.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.322 0.582 . . . . 0.0 110.17 -178.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.72 -18.41 62.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.612 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 6' ' ' PRO . 98.3 t -68.77 -33.66 60.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 177.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 28.1 mt -61.72 -68.45 0.32 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.842 0.83 . . . . 0.0 109.484 175.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.448 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 3.9 t80 168.71 51.09 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.005 -1.907 . . . . 0.0 106.039 177.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 52.8 m 69.42 24.01 5.9 Favored 'General case' 0 C--O 1.227 -0.094 0 CA-C-N 114.277 -1.329 . . . . 0.0 109.316 -163.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.175 0 O-C-N 122.231 -0.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.764 0.316 . . . . 0.0 111.268 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.7 m -88.07 -41.23 13.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.089 0.471 . . . . 0.0 110.405 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 t -80.57 6.99 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.757 -176.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 8' ' ' CYS . 1.9 t -117.98 116.99 35.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.606 ' O ' HG23 ' A' ' 10' ' ' VAL . 89.1 Cg_exo -48.26 -49.4 14.33 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.549 2.833 . . . . 0.0 114.654 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.523 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 47.9 Cg_exo -58.42 -25.06 71.8 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 122.175 1.917 . . . . 0.0 113.767 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.488 ' HB3' HG23 ' A' ' 5' ' ' THR . 52.0 t -102.49 -25.53 13.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.1 0.476 . . . . 0.0 110.491 -178.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.85 -16.33 63.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.502 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 6' ' ' PRO . 42.6 t -69.8 -34.0 58.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.823 0.344 . . . . 0.0 110.271 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 48.6 mt -61.49 -67.86 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.76 0.791 . . . . 0.0 110.099 176.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 11.0 t80 167.5 51.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 35.0 t . . . . . 0 CA--C 1.527 0.071 0 CA-C-N 113.929 -1.487 . . . . 0.0 108.529 -163.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 CA--C 1.529 0.159 0 CA-C-O 120.504 0.193 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.8 m -78.79 -8.81 59.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 m -99.6 -13.85 19.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 t -110.75 121.34 41.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-O 120.826 0.346 . . . . 0.0 110.121 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.712 ' O ' HG23 ' A' ' 10' ' ' VAL . 88.6 Cg_exo -47.97 -51.58 9.68 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.059 2.506 . . . . 0.0 114.397 -174.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.604 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 52.6 Cg_exo -58.44 -20.52 49.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 122.293 1.995 . . . . 0.0 114.041 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 t -104.7 -20.21 13.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.258 0.551 . . . . 0.0 110.035 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.47 -10.39 57.52 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.968 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 6' ' ' PRO . 85.7 t -72.67 -35.3 49.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 175.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 38.8 mt -55.08 -68.37 0.2 Allowed 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.754 0.788 . . . . 0.0 110.023 176.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.531 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 5.6 t80 162.56 51.23 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.456 -0.174 0 CA-C-N 113.954 -1.475 . . . . 0.0 109.022 -161.766 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.226 -0.141 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.3 m -103.98 -2.5 25.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.959 0.409 . . . . 0.0 110.231 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 p -119.35 -22.64 6.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.666 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.3 t -96.99 126.81 41.12 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.042 0.449 . . . . 0.0 110.335 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.576 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 85.5 Cg_exo -50.3 -45.32 34.49 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.396 2.731 . . . . 0.0 115.21 -175.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -47.94 -29.52 11.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 C-N-CA 122.888 2.392 . . . . 0.0 114.488 -175.475 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.8 p -127.67 -18.24 4.38 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.93 -18.42 62.65 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.318 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.4 t -70.97 -35.84 61.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 28.8 mt -57.85 -68.84 0.2 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.565 0.698 . . . . 0.0 110.003 175.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.415 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 22.5 t80 169.04 52.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 2' ' ' CYS . 72.8 m . . . . . 0 C--N 1.339 0.149 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.433 -165.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.476 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 7.8 t . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 120.981 0.42 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.0 m -99.05 -3.32 35.03 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.258 -0.276 . . . . 0.0 110.73 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.5 p -119.76 -28.7 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.87 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 t -83.86 121.43 75.97 Favored Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.417 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.599 ' O ' HG23 ' A' ' 10' ' ' VAL . 80.9 Cg_exo -46.46 -47.76 14.8 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.368 2.712 . . . . 0.0 114.847 -176.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 75.0 Cg_exo -45.61 -33.31 9.61 Favored 'Trans proline' 0 C--N 1.362 1.263 0 C-N-CA 122.667 2.244 . . . . 0.0 114.642 -176.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 p -123.28 -12.45 7.83 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.221 -0.591 . . . . 0.0 111.934 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.12 -12.05 59.89 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.702 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 6' ' ' PRO . 42.0 t -80.85 -22.25 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.229 178.019 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 26.6 mt -66.34 -65.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.761 0.791 . . . . 0.0 109.451 172.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 12.9 t80 160.6 58.54 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 112.966 -1.925 . . . . 0.0 106.311 178.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 2' ' ' CYS . 71.3 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 114.407 -1.27 . . . . 0.0 108.81 -164.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.87 ' HA ' HG22 ' A' ' 5' ' ' THR . 1.7 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.8 m -90.91 -17.52 26.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.055 0.455 . . . . 0.0 110.227 173.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.9 p -112.97 4.11 16.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.373 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.87 HG22 ' HA ' ' A' ' 2' ' ' CYS . 14.3 t -121.81 132.16 24.29 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 120.858 0.361 . . . . 0.0 110.69 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.525 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 80.6 Cg_exo -49.15 -46.39 25.86 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 123.768 2.979 . . . . 0.0 114.923 -177.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 9.8 Cg_endo -54.45 -18.87 15.93 Favored 'Trans proline' 0 C--N 1.362 1.252 0 C-N-CA 122.38 2.053 . . . . 0.0 113.963 -176.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 20.0 m -120.62 -35.5 3.37 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.311 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.79 -10.1 34.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 6' ' ' PRO . 84.2 t -82.63 -29.95 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.414 177.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 14.3 mt -67.35 -66.94 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.65 0.738 . . . . 0.0 109.61 174.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.554 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 6.2 t80 166.97 59.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 12' ' ' TYR . 24.6 m . . . . . 0 N--CA 1.463 0.18 0 CA-C-N 114.225 -1.352 . . . . 0.0 109.624 -164.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 121.127 0.489 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 42.5 t -82.13 -22.91 35.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.198 0.523 . . . . 0.0 110.166 177.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.3 p -84.7 22.43 1.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.74 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.483 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 3.1 t -148.51 118.59 4.17 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 120.759 0.314 . . . . 0.0 110.612 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.541 ' O ' HG23 ' A' ' 10' ' ' VAL . 6.3 Cg_exo -44.32 -49.39 8.91 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 124.021 3.147 . . . . 0.0 114.919 -175.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.449 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 53.2 Cg_exo -56.58 -27.94 72.04 Favored 'Trans proline' 0 C--N 1.363 1.341 0 C-N-CA 122.171 1.914 . . . . 0.0 113.685 -177.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 45.6 t -98.15 -20.21 17.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.236 0.541 . . . . 0.0 109.859 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.571 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -71.54 -16.72 62.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.759 175.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 6' ' ' PRO . 58.0 t -66.31 -37.34 79.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.015 175.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.8 mt -58.95 -69.03 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 122.139 0.971 . . . . 0.0 109.939 175.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 20.9 t80 173.42 45.02 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 60.4 m . . . . . 0 CA--C 1.521 -0.147 0 CA-C-N 113.715 -1.584 . . . . 0.0 109.667 -165.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.526 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 1.1 m . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 111.508 0.188 . . . . 0.0 111.508 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 m -88.1 -36.59 16.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.944 0.402 . . . . 0.0 109.939 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.9 p -84.24 -6.57 59.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.043 -177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 t -113.62 118.41 43.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.415 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.613 ' O ' HG23 ' A' ' 10' ' ' VAL . 76.7 Cg_exo -49.31 -49.26 15.97 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 123.09 2.527 . . . . 0.0 114.587 -176.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.515 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 50.6 Cg_exo -58.19 -31.06 92.54 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 122.179 1.919 . . . . 0.0 114.197 -176.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.5 t -96.6 -18.77 19.52 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.29 0.567 . . . . 0.0 109.736 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.21 -16.88 60.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.83 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 6' ' ' PRO . 57.7 t -66.97 -37.73 79.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.207 176.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -56.22 -70.0 0.13 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.887 0.851 . . . . 0.0 110.002 176.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.0 t80 170.21 52.08 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 37.4 t . . . . . 0 N--CA 1.451 -0.411 0 CA-C-N 113.919 -1.492 . . . . 0.0 108.279 -163.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.966 0.412 . . . . 0.0 110.795 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.9 m -82.52 -38.59 23.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.01 0.433 . . . . 0.0 110.544 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 m -79.53 -10.09 59.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.975 -174.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.66 HG23 ' HB3' ' A' ' 8' ' ' CYS . 2.6 t -100.52 118.2 61.44 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.824 0.345 . . . . 0.0 110.527 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.612 ' O ' HG23 ' A' ' 10' ' ' VAL . 89.2 Cg_exo -49.34 -50.51 12.77 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.326 2.684 . . . . 0.0 114.64 -175.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 25.9 Cg_endo -63.28 -7.71 12.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 122.17 1.913 . . . . 0.0 113.881 -177.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.66 ' HB3' HG23 ' A' ' 5' ' ' THR . 53.1 t -115.36 -30.76 6.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.999 0.428 . . . . 0.0 110.556 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.97 -13.83 62.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.528 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 6' ' ' PRO . 75.8 t -71.97 -34.27 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 110.427 176.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.9 mt -62.37 -65.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.736 0.779 . . . . 0.0 110.376 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 13.3 t80 168.11 51.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 46.3 t . . . . . 0 N--CA 1.456 -0.138 0 CA-C-N 113.863 -1.517 . . . . 0.0 108.805 -164.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.597 ' HA ' HG22 ' A' ' 5' ' ' THR . 28.0 t . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 120.951 0.405 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.6 t -71.82 -11.74 60.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.993 0.425 . . . . 0.0 110.939 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 p -115.72 21.65 13.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.921 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 2' ' ' CYS . 13.8 t -137.17 126.35 15.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.149 176.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.495 ' O ' HG23 ' A' ' 10' ' ' VAL . 80.8 Cg_exo -47.08 -46.02 20.03 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.65 2.9 . . . . 0.0 114.971 -176.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 57.8 Cg_exo -43.98 -33.87 5.82 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 122.815 2.343 . . . . 0.0 114.816 -176.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.2 p -129.02 -7.42 4.91 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.544 -0.462 . . . . 0.0 112.135 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.743 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -71.77 -23.8 61.65 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.929 -0.309 . . . . 0.0 111.186 176.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 6' ' ' PRO . 39.3 t -71.11 -25.74 26.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.777 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.6 mt -66.16 -67.8 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.877 0.846 . . . . 0.0 109.618 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -177.65 50.84 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 113.562 -1.654 . . . . 0.0 107.231 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.743 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 21.8 m . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.282 -169.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.3 m . . . . . 0 C--O 1.233 0.188 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.3 m -84.82 -33.82 22.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.145 0.498 . . . . 0.0 110.116 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.7 p -85.86 -10.61 55.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.038 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 2' ' ' CYS . 14.0 t -118.36 133.99 23.46 Favored Pre-proline 0 C--N 1.326 -0.453 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.221 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.552 ' O ' HG23 ' A' ' 10' ' ' VAL . 73.1 Cg_exo -49.87 -47.33 23.8 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.463 2.775 . . . . 0.0 114.606 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.452 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 81.2 Cg_exo -44.97 -27.18 2.4 Favored 'Trans proline' 0 C--N 1.366 1.458 0 C-N-CA 122.79 2.327 . . . . 0.0 114.195 -177.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 27.4 m -114.53 -32.16 5.98 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.068 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.66 -14.6 58.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 6' ' ' PRO . 87.7 t -79.03 -27.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.769 178.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.53 -66.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.945 0.878 . . . . 0.0 109.535 174.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.3 t80 172.24 55.57 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.029 -1.896 . . . . 0.0 106.439 177.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 41.9 t . . . . . 0 CA--C 1.529 0.146 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.943 -165.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.461 0.083 0 CA-C-O 121.159 0.504 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 47.1 t -78.32 -31.58 48.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 m -82.97 4.85 24.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.97 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.489 HG23 ' HB3' ' A' ' 8' ' ' CYS . 10.1 t -118.81 120.28 31.65 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.569 ' O ' HG23 ' A' ' 10' ' ' VAL . 80.2 Cg_exo -45.85 -50.4 9.72 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.637 2.891 . . . . 0.0 114.671 -174.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 14.2 Cg_endo -60.03 -21.45 65.24 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.118 1.879 . . . . 0.0 113.657 -176.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.489 ' HB3' HG23 ' A' ' 5' ' ' THR . 47.9 t -105.98 -24.89 12.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.983 0.42 . . . . 0.0 110.367 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.492 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -68.09 -19.17 64.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.876 177.162 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 6' ' ' PRO . 97.3 t -66.03 -37.94 80.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.414 176.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.6 mt -58.39 -67.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 122.016 0.913 . . . . 0.0 110.503 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.8 t80 172.5 53.71 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.2 m . . . . . 0 N--CA 1.454 -0.253 0 CA-C-N 114.066 -1.425 . . . . 0.0 109.591 -166.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.716 0.293 . . . . 0.0 111.763 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.4 m -114.24 5.5 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.031 0.443 . . . . 0.0 110.097 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 p -118.54 -32.44 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.804 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.451 ' OG1' ' HD2' ' A' ' 7' ' ' PRO . 2.5 t -88.21 118.3 69.39 Favored Pre-proline 0 C--O 1.235 0.332 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.405 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 87.4 Cg_exo -47.87 -46.87 20.37 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.508 2.805 . . . . 0.0 114.815 -176.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.451 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 72.5 Cg_exo -44.15 -35.11 7.47 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.756 2.304 . . . . 0.0 114.619 -177.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 p -116.47 -26.72 6.99 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.434 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.75 -16.52 63.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.686 0.279 . . . . 0.0 111.133 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.6 p -68.17 -38.06 79.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.141 0.496 . . . . 0.0 110.224 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.483 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.2 mt -60.32 -64.38 0.97 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.913 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.483 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 7.6 t80 165.57 52.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 112.929 -1.941 . . . . 0.0 106.483 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 2' ' ' CYS . 95.5 m . . . . . 0 C--O 1.233 0.228 0 CA-C-N 113.979 -1.464 . . . . 0.0 109.632 -166.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.846 ' HA ' HG22 ' A' ' 5' ' ' THR . 1.3 m . . . . . 0 N--CA 1.463 0.212 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.482 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 48.4 t -82.06 -20.92 37.27 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.181 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.3 m -98.04 1.95 48.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.289 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.846 HG22 ' HA ' ' A' ' 2' ' ' CYS . 13.1 t -125.28 127.97 24.86 Favored Pre-proline 0 C--N 1.326 -0.432 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.796 -178.371 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.569 ' O ' HG23 ' A' ' 10' ' ' VAL . 83.5 Cg_exo -48.29 -46.19 23.76 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.514 2.809 . . . . 0.0 114.562 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.438 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 73.8 Cg_exo -51.95 -24.3 18.79 Favored 'Trans proline' 0 C--N 1.364 1.368 0 C-N-CA 122.21 1.94 . . . . 0.0 113.872 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.593 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 37.0 m -109.94 -26.41 9.77 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.576 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . . . -66.24 -15.04 62.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.734 -178.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 6' ' ' PRO . 58.4 t -73.77 -32.81 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 110.091 176.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.1 mt -66.33 -64.37 0.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.782 0.801 . . . . 0.0 110.28 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 8.8 t80 169.38 55.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.368 -1.742 . . . . 0.0 106.427 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 38.9 m . . . . . 0 C--N 1.335 -0.054 0 CA-C-N 114.236 -1.347 . . . . 0.0 109.865 -165.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.543 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 121.239 0.542 . . . . 0.0 110.843 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 4.2 t -102.32 -16.27 16.31 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.1 p -84.62 -19.87 32.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.759 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.439 HG23 ' SG ' ' A' ' 8' ' ' CYS . 2.7 t -106.15 116.41 59.5 Favored Pre-proline 0 N--CA 1.452 -0.374 0 CA-C-O 120.992 0.425 . . . . 0.0 110.184 177.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.605 ' O ' HG23 ' A' ' 10' ' ' VAL . 80.5 Cg_exo -48.0 -46.01 23.32 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.672 2.914 . . . . 0.0 115.275 -175.147 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 69.8 Cg_exo -45.09 -40.55 15.79 Favored 'Trans proline' 0 C--N 1.363 1.317 0 C-N-CA 122.443 2.095 . . . . 0.0 114.52 -176.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' SG ' HG23 ' A' ' 5' ' ' THR . 8.6 p -107.2 -11.65 15.55 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.172 178.615 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . . . -71.38 -22.09 61.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.353 175.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 6' ' ' PRO . 66.6 t -71.51 -20.51 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.918 0.389 . . . . 0.0 110.758 177.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.7 mt -70.08 -70.48 0.29 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 122.095 0.95 . . . . 0.0 109.406 174.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.7 t80 178.05 57.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.398 -1.728 . . . . 0.0 106.426 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 60.3 m . . . . . 0 N--CA 1.457 -0.098 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.353 -166.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.591 ' HA ' HG22 ' A' ' 5' ' ' THR . 3.5 p . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 120.658 0.266 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m -87.99 -30.76 19.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.047 0.451 . . . . 0.0 110.126 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 p -85.64 8.83 18.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.235 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.591 HG22 ' HA ' ' A' ' 2' ' ' CYS . 12.2 t -138.13 133.95 17.59 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.6 ' O ' HG23 ' A' ' 10' ' ' VAL . 82.4 Cg_exo -52.32 -47.11 28.62 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.343 2.695 . . . . 0.0 115.428 -172.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 4.8 Cg_endo -51.56 -12.46 1.04 Allowed 'Trans proline' 0 C--N 1.364 1.387 0 C-N-CA 122.971 2.448 . . . . 0.0 115.423 -173.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 43.2 t -127.85 -21.66 3.66 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.837 -0.539 . . . . 0.0 111.423 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.15 -9.23 59.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.438 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 6' ' ' PRO . 83.9 t -76.26 -33.32 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.438 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 39.7 mt -60.62 -68.83 0.26 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.798 0.809 . . . . 0.0 109.683 172.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.468 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 25.0 t80 163.58 50.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 12' ' ' TYR . 15.9 m . . . . . 0 N--CA 1.462 0.147 0 CA-C-N 113.911 -1.495 . . . . 0.0 109.511 -163.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 CA--C 1.531 0.212 0 CA-C-O 120.778 0.323 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.2 m -75.4 -18.74 59.86 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.218 -0.301 . . . . 0.0 111.342 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.5 m -96.73 11.84 34.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.596 HG23 ' HB3' ' A' ' 8' ' ' CYS . 2.5 t -130.71 126.83 22.06 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.696 ' O ' HG23 ' A' ' 10' ' ' VAL . 77.2 Cg_exo -54.38 -54.09 5.18 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.115 2.544 . . . . 0.0 114.604 -172.371 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.487 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 52.7 Cg_endo -70.94 14.16 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.791 1.661 . . . . 0.0 113.875 -176.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.596 ' HB3' HG23 ' A' ' 5' ' ' THR . 9.0 t -129.02 -26.45 2.63 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.974 0.416 . . . . 0.0 110.09 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.06 -13.0 59.19 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.808 174.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 6' ' ' PRO . 61.8 t -71.96 -31.15 39.53 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.098 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.244 178.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.455 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 15.3 mt -61.07 -67.19 0.43 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.845 0.831 . . . . 0.0 109.329 173.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 22.5 t80 163.93 45.78 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 112.941 -1.936 . . . . 0.0 105.902 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.453 -0.277 0 CA-C-N 113.891 -1.504 . . . . 0.0 108.812 -162.444 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.486 ' HA ' HG22 ' A' ' 5' ' ' THR . 42.8 t . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.978 0.418 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.3 m -83.51 -9.27 59.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.041 -0.412 . . . . 0.0 110.874 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.7 p -113.2 -23.65 9.84 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 2' ' ' CYS . 12.8 t -89.55 119.87 69.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.521 -177.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.531 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 79.4 Cg_exo -43.22 -48.52 7.98 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.774 2.983 . . . . 0.0 115.382 -175.049 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -46.28 -39.47 21.3 Favored 'Trans proline' 0 C--N 1.364 1.368 0 C-N-CA 123.063 2.509 . . . . 0.0 114.571 -176.141 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.2 p -115.34 -19.81 10.57 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.04 -0.664 . . . . 0.0 111.435 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -71.1 -20.91 62.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 175.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.74 -37.03 78.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.253 0.549 . . . . 0.0 110.444 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 15.4 mt -60.77 -61.46 2.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.875 177.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 9.2 t80 163.24 51.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 112.856 -1.974 . . . . 0.0 106.542 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 19.1 t . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.819 -166.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.577 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.219 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.7 m -100.15 -35.13 9.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.081 0.467 . . . . 0.0 110.386 174.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.8 t -83.37 -7.35 59.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.387 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.541 HG23 ' HB3' ' A' ' 8' ' ' CYS . 3.1 t -105.71 111.72 64.64 Favored Pre-proline 0 C--O 1.236 0.363 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 10' ' ' VAL . 78.1 Cg_exo -49.96 -50.71 12.56 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.245 2.63 . . . . 0.0 114.395 -175.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 17.6 Cg_endo -59.84 -11.17 14.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.292 1.995 . . . . 0.0 114.033 -177.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.541 ' HB3' HG23 ' A' ' 5' ' ' THR . 41.9 t -114.91 -20.11 10.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.002 0.429 . . . . 0.0 110.379 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.91 -16.9 59.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.611 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 6' ' ' PRO . 48.7 t -70.23 -29.12 38.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.46 177.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.3 mt -64.21 -68.13 0.38 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.705 0.765 . . . . 0.0 109.76 176.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 6.6 t80 168.92 50.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 20.6 m . . . . . 0 N--CA 1.456 -0.159 0 CA-C-N 113.91 -1.496 . . . . 0.0 109.232 -163.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 121.131 0.491 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.535 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 51.1 t -74.91 -25.54 58.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.147 178.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 p -83.73 -8.33 59.28 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.474 HG23 ' HB3' ' A' ' 8' ' ' CYS . 3.2 t -108.88 129.1 24.33 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.934 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.566 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 73.2 Cg_exo -50.24 -50.64 12.9 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.607 2.871 . . . . 0.0 114.922 -175.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.566 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 30.2 Cg_exo -64.72 -2.72 5.67 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.171 1.914 . . . . 0.0 113.443 -177.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.474 ' HB3' HG23 ' A' ' 5' ' ' THR . 51.0 t -121.76 -34.07 3.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.777 0.322 . . . . 0.0 110.328 177.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.935 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -68.87 -14.74 63.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.588 175.26 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.46 -37.58 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.279 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.12 -64.11 0.94 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.873 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 179.69 41.54 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 112.866 -1.97 . . . . 0.0 107.926 -176.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.935 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 59.6 m . . . . . 0 N--CA 1.456 -0.163 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.927 -165.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.099 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.6 m -87.49 -18.46 29.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.914 0.388 . . . . 0.0 110.463 174.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 t -102.54 7.66 40.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.01 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.537 HG23 ' HB3' ' A' ' 8' ' ' CYS . 2.1 t -122.37 114.95 30.17 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.666 ' O ' HG23 ' A' ' 10' ' ' VAL . 86.4 Cg_exo -48.48 -50.56 12.02 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.268 2.645 . . . . 0.0 114.56 -174.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.575 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 51.8 Cg_exo -57.73 -28.99 84.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 122.244 1.962 . . . . 0.0 113.722 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.537 ' HB3' HG23 ' A' ' 5' ' ' THR . 53.5 t -97.59 -23.67 15.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.322 0.582 . . . . 0.0 110.17 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.72 -18.41 62.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.612 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 6' ' ' PRO . 98.3 t -68.77 -33.66 60.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 177.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 28.1 mt -61.72 -68.45 0.32 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.842 0.83 . . . . 0.0 109.484 175.3 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 3.9 t80 168.71 51.09 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.005 -1.907 . . . . 0.0 106.039 177.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 52.8 m . . . . . 0 C--O 1.227 -0.094 0 CA-C-N 114.277 -1.329 . . . . 0.0 109.316 -163.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.935 0 N-CA-C 112.05 -0.42 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -84.5 -1.06 55.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.764 0.316 . . . . 0.0 111.268 -178.168 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.7 m -88.07 -41.23 13.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.089 0.471 . . . . 0.0 110.405 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 t -80.57 6.99 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.757 -176.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 8' ' ' CYS . 1.9 t -117.98 116.99 35.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.606 ' O ' HG23 ' A' ' 10' ' ' VAL . 89.1 Cg_exo -48.26 -49.4 14.33 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.549 2.833 . . . . 0.0 114.654 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.523 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 47.9 Cg_exo -58.42 -25.06 71.8 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 122.175 1.917 . . . . 0.0 113.767 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.488 ' HB3' HG23 ' A' ' 5' ' ' THR . 52.0 t -102.49 -25.53 13.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.1 0.476 . . . . 0.0 110.491 -178.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.85 -16.33 63.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.502 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 6' ' ' PRO . 42.6 t -69.8 -34.0 58.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.823 0.344 . . . . 0.0 110.271 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 48.6 mt -61.49 -67.86 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.76 0.791 . . . . 0.0 110.099 176.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 11.0 t80 167.5 51.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 35.0 t 68.64 24.05 6.96 Favored 'General case' 0 CA--C 1.527 0.071 0 CA-C-N 113.929 -1.487 . . . . 0.0 108.529 -163.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.13 0 O-C-N 121.829 -0.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.902 0 N-CA-C 112.229 -0.348 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.39 -28.8 67.42 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.799 -0.236 . . . . 0.0 111.236 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.8 m -78.79 -8.81 59.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 m -99.6 -13.85 19.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 t -110.75 121.34 41.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-O 120.826 0.346 . . . . 0.0 110.121 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.712 ' O ' HG23 ' A' ' 10' ' ' VAL . 88.6 Cg_exo -47.97 -51.58 9.68 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.059 2.506 . . . . 0.0 114.397 -174.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.604 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 52.6 Cg_exo -58.44 -20.52 49.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 122.293 1.995 . . . . 0.0 114.041 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 t -104.7 -20.21 13.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.258 0.551 . . . . 0.0 110.035 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.47 -10.39 57.52 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.968 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 6' ' ' PRO . 85.7 t -72.67 -35.3 49.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 175.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 38.8 mt -55.08 -68.37 0.2 Allowed 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.754 0.788 . . . . 0.0 110.023 176.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.531 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 5.6 t80 162.56 51.23 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.6 m 63.75 35.94 10.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 113.954 -1.475 . . . . 0.0 109.022 -161.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.094 0 O-C-N 122.159 -0.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.428 ' O ' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.484 1.858 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -80.9 2.35 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 117.232 0.516 . . . . 0.0 112.145 -178.315 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.3 m -103.98 -2.5 25.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.959 0.409 . . . . 0.0 110.231 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 p -119.35 -22.64 6.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.666 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 1' ' ' GLY . 13.3 t -96.99 126.81 41.12 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.042 0.449 . . . . 0.0 110.335 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.576 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 85.5 Cg_exo -50.3 -45.32 34.49 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.396 2.731 . . . . 0.0 115.21 -175.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -47.94 -29.52 11.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 C-N-CA 122.888 2.392 . . . . 0.0 114.488 -175.475 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 23.8 p -127.67 -18.24 4.38 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.93 -18.42 62.65 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.318 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.4 t -70.97 -35.84 61.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 28.8 mt -57.85 -68.84 0.2 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.565 0.698 . . . . 0.0 110.003 175.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.415 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 22.5 t80 169.04 52.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 2' ' ' CYS . 72.8 m 70.41 19.48 6.36 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.433 -165.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.408 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.333 -0.151 0 O-C-N 122.019 -0.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.47 ' O ' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.484 1.847 0 N-CA-C 112.108 -0.397 . . . . 0.0 112.108 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.476 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 7.8 t -77.89 -4.55 47.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.981 0.42 . . . . 0.0 111.062 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.0 m -99.05 -3.32 35.03 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.258 -0.276 . . . . 0.0 110.73 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.5 p -119.76 -28.7 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.87 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 1' ' ' GLY . 9.6 t -83.86 121.43 75.97 Favored Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.417 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.599 ' O ' HG23 ' A' ' 10' ' ' VAL . 80.9 Cg_exo -46.46 -47.76 14.8 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.368 2.712 . . . . 0.0 114.847 -176.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 75.0 Cg_exo -45.61 -33.31 9.61 Favored 'Trans proline' 0 C--N 1.362 1.263 0 C-N-CA 122.667 2.244 . . . . 0.0 114.642 -176.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 17.5 p -123.28 -12.45 7.83 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.221 -0.591 . . . . 0.0 111.934 -177.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.12 -12.05 59.89 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.702 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 6' ' ' PRO . 42.0 t -80.85 -22.25 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.229 178.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 26.6 mt -66.34 -65.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.761 0.791 . . . . 0.0 109.451 172.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 12.9 t80 160.6 58.54 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 112.966 -1.925 . . . . 0.0 106.311 178.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 2' ' ' CYS . 71.3 m 67.96 20.11 9.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.407 -1.27 . . . . 0.0 108.81 -164.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.404 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.334 -0.074 0 O-C-N 122.101 -0.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.87 ' HA ' HG22 ' A' ' 5' ' ' THR . 1.7 m -100.67 5.72 43.85 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.8 m -90.91 -17.52 26.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.055 0.455 . . . . 0.0 110.227 173.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.9 p -112.97 4.11 16.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.373 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.87 HG22 ' HA ' ' A' ' 2' ' ' CYS . 14.3 t -121.81 132.16 24.29 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 120.858 0.361 . . . . 0.0 110.69 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.525 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 80.6 Cg_exo -49.15 -46.39 25.86 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 123.768 2.979 . . . . 0.0 114.923 -177.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 9.8 Cg_endo -54.45 -18.87 15.93 Favored 'Trans proline' 0 C--N 1.362 1.252 0 C-N-CA 122.38 2.053 . . . . 0.0 113.963 -176.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 20.0 m -120.62 -35.5 3.37 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.311 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.79 -10.1 34.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 6' ' ' PRO . 84.2 t -82.63 -29.95 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.414 177.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 14.3 mt -67.35 -66.94 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.65 0.738 . . . . 0.0 109.61 174.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.554 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 6.2 t80 166.97 59.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 12' ' ' TYR . 24.6 m 76.0 0.8 3.38 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 114.225 -1.352 . . . . 0.0 109.624 -164.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.434 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.33 -0.262 0 O-C-N 121.8 -0.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -115.02 -22.83 9.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.127 0.489 . . . . 0.0 110.286 178.568 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 42.5 t -82.13 -22.91 35.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.198 0.523 . . . . 0.0 110.166 177.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.3 p -84.7 22.43 1.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.74 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.483 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 3.1 t -148.51 118.59 4.17 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 120.759 0.314 . . . . 0.0 110.612 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.541 ' O ' HG23 ' A' ' 10' ' ' VAL . 6.3 Cg_exo -44.32 -49.39 8.91 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 124.021 3.147 . . . . 0.0 114.919 -175.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.449 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 53.2 Cg_exo -56.58 -27.94 72.04 Favored 'Trans proline' 0 C--N 1.363 1.341 0 C-N-CA 122.171 1.914 . . . . 0.0 113.685 -177.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 45.6 t -98.15 -20.21 17.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.236 0.541 . . . . 0.0 109.859 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.571 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -71.54 -16.72 62.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.759 175.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 6' ' ' PRO . 58.0 t -66.31 -37.34 79.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.015 175.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.8 mt -58.95 -69.03 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 122.139 0.971 . . . . 0.0 109.939 175.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 20.9 t80 173.42 45.02 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 60.4 m 70.96 25.98 3.68 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 113.715 -1.584 . . . . 0.0 109.667 -165.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.076 0 CA-C-N 116.585 -0.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.935 0 N-CA-C 112.021 -0.432 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.526 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 1.1 m -129.66 -10.64 4.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.694 -0.298 . . . . 0.0 111.508 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 m -88.1 -36.59 16.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.944 0.402 . . . . 0.0 109.939 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.9 p -84.24 -6.57 59.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.043 -177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 t -113.62 118.41 43.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.415 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.613 ' O ' HG23 ' A' ' 10' ' ' VAL . 76.7 Cg_exo -49.31 -49.26 15.97 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 123.09 2.527 . . . . 0.0 114.587 -176.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.515 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 50.6 Cg_exo -58.19 -31.06 92.54 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 122.179 1.919 . . . . 0.0 114.197 -176.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 32.5 t -96.6 -18.77 19.52 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.29 0.567 . . . . 0.0 109.736 178.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.21 -16.88 60.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.83 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 6' ' ' PRO . 57.7 t -66.97 -37.73 79.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.207 176.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -56.22 -70.0 0.13 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.887 0.851 . . . . 0.0 110.002 176.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.0 t80 170.21 52.08 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 37.4 t 68.16 27.0 6.94 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 113.919 -1.492 . . . . 0.0 108.279 -163.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.434 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.334 -0.073 0 O-C-N 121.681 -0.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 N-CA-C 112.216 -0.354 . . . . 0.0 112.216 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -107.1 -3.32 20.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.966 0.412 . . . . 0.0 110.795 -179.724 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.9 m -82.52 -38.59 23.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.01 0.433 . . . . 0.0 110.544 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 m -79.53 -10.09 59.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.975 -174.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.66 HG23 ' HB3' ' A' ' 8' ' ' CYS . 2.6 t -100.52 118.2 61.44 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.824 0.345 . . . . 0.0 110.527 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.612 ' O ' HG23 ' A' ' 10' ' ' VAL . 89.2 Cg_exo -49.34 -50.51 12.77 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.326 2.684 . . . . 0.0 114.64 -175.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 25.9 Cg_endo -63.28 -7.71 12.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 122.17 1.913 . . . . 0.0 113.881 -177.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.66 ' HB3' HG23 ' A' ' 5' ' ' THR . 53.1 t -115.36 -30.76 6.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.999 0.428 . . . . 0.0 110.556 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.97 -13.83 62.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.528 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 6' ' ' PRO . 75.8 t -71.97 -34.27 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 110.427 176.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.9 mt -62.37 -65.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.736 0.779 . . . . 0.0 110.376 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 13.3 t80 168.11 51.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 46.3 t 67.98 22.43 8.54 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 113.863 -1.517 . . . . 0.0 108.805 -164.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.152 0 O-C-N 121.734 -0.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.9 0 N-CA-C 112.08 -0.408 . . . . 0.0 112.08 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.597 ' HA ' HG22 ' A' ' 5' ' ' THR . 28.0 t -72.82 -35.34 67.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.951 0.405 . . . . 0.0 110.992 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.6 t -71.82 -11.74 60.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.993 0.425 . . . . 0.0 110.939 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 p -115.72 21.65 13.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.921 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 2' ' ' CYS . 13.8 t -137.17 126.35 15.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.149 176.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.495 ' O ' HG23 ' A' ' 10' ' ' VAL . 80.8 Cg_exo -47.08 -46.02 20.03 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.65 2.9 . . . . 0.0 114.971 -176.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 57.8 Cg_exo -43.98 -33.87 5.82 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 122.815 2.343 . . . . 0.0 114.816 -176.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 26.2 p -129.02 -7.42 4.91 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.544 -0.462 . . . . 0.0 112.135 -178.093 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.743 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -71.77 -23.8 61.65 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.929 -0.309 . . . . 0.0 111.186 176.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 6' ' ' PRO . 39.3 t -71.11 -25.74 26.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.777 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.6 mt -66.16 -67.8 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.877 0.846 . . . . 0.0 109.618 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -177.65 50.84 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 113.562 -1.654 . . . . 0.0 107.231 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.743 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 21.8 m 63.24 29.0 15.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.282 -169.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.333 -0.114 0 O-C-N 122.036 -0.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.036 0 N-CA-C 112.085 -0.406 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.3 m -93.53 -3.09 53.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.666 -0.314 . . . . 0.0 111.744 -179.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.3 m -84.82 -33.82 22.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.145 0.498 . . . . 0.0 110.116 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.7 p -85.86 -10.61 55.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.038 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 2' ' ' CYS . 14.0 t -118.36 133.99 23.46 Favored Pre-proline 0 C--N 1.326 -0.453 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.221 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.552 ' O ' HG23 ' A' ' 10' ' ' VAL . 73.1 Cg_exo -49.87 -47.33 23.8 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.463 2.775 . . . . 0.0 114.606 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.452 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 81.2 Cg_exo -44.97 -27.18 2.4 Favored 'Trans proline' 0 C--N 1.366 1.458 0 C-N-CA 122.79 2.327 . . . . 0.0 114.195 -177.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 27.4 m -114.53 -32.16 5.98 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.068 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.66 -14.6 58.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 6' ' ' PRO . 87.7 t -79.03 -27.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.769 178.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.53 -66.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.945 0.878 . . . . 0.0 109.535 174.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.3 t80 172.24 55.57 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.029 -1.896 . . . . 0.0 106.439 177.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 41.9 t 70.53 6.63 5.9 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.943 -165.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.164 0 O-C-N 121.694 -0.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.05 -22.1 49.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.159 0.504 . . . . 0.0 110.352 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 47.1 t -78.32 -31.58 48.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 m -82.97 4.85 24.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.97 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.489 HG23 ' HB3' ' A' ' 8' ' ' CYS . 10.1 t -118.81 120.28 31.65 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.569 ' O ' HG23 ' A' ' 10' ' ' VAL . 80.2 Cg_exo -45.85 -50.4 9.72 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.637 2.891 . . . . 0.0 114.671 -174.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 14.2 Cg_endo -60.03 -21.45 65.24 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.118 1.879 . . . . 0.0 113.657 -176.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.489 ' HB3' HG23 ' A' ' 5' ' ' THR . 47.9 t -105.98 -24.89 12.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.983 0.42 . . . . 0.0 110.367 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.492 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -68.09 -19.17 64.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.876 177.162 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 6' ' ' PRO . 97.3 t -66.03 -37.94 80.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.414 176.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.6 mt -58.39 -67.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 122.016 0.913 . . . . 0.0 110.503 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.8 t80 172.5 53.71 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.2 m 69.12 18.64 8.21 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 114.066 -1.425 . . . . 0.0 109.591 -166.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.421 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.335 -0.064 0 O-C-N 122.065 -0.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.953 0 N-CA-C 112.099 -0.4 . . . . 0.0 112.099 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -93.18 17.04 11.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 122.588 -0.36 . . . . 0.0 111.763 -177.148 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.4 m -114.24 5.5 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.031 0.443 . . . . 0.0 110.097 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 p -118.54 -32.44 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.804 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.451 ' OG1' ' HD2' ' A' ' 7' ' ' PRO . 2.5 t -88.21 118.3 69.39 Favored Pre-proline 0 C--O 1.235 0.332 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.405 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 87.4 Cg_exo -47.87 -46.87 20.37 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.508 2.805 . . . . 0.0 114.815 -176.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.451 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 72.5 Cg_exo -44.15 -35.11 7.47 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.756 2.304 . . . . 0.0 114.619 -177.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 30.4 p -116.47 -26.72 6.99 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.434 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.75 -16.52 63.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.686 0.279 . . . . 0.0 111.133 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.6 p -68.17 -38.06 79.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.141 0.496 . . . . 0.0 110.224 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.483 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.2 mt -60.32 -64.38 0.97 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.913 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.483 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 7.6 t80 165.57 52.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 112.929 -1.941 . . . . 0.0 106.483 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 2' ' ' CYS . 95.5 m 72.6 13.86 5.25 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 113.979 -1.464 . . . . 0.0 109.632 -166.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.413 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.334 -0.095 0 O-C-N 122.008 -0.433 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.846 ' HA ' HG22 ' A' ' 5' ' ' THR . 1.3 m -69.66 -20.54 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.482 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 48.4 t -82.06 -20.92 37.27 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.181 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.3 m -98.04 1.95 48.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.289 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.846 HG22 ' HA ' ' A' ' 2' ' ' CYS . 13.1 t -125.28 127.97 24.86 Favored Pre-proline 0 C--N 1.326 -0.432 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.796 -178.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.569 ' O ' HG23 ' A' ' 10' ' ' VAL . 83.5 Cg_exo -48.29 -46.19 23.76 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.514 2.809 . . . . 0.0 114.562 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.438 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 73.8 Cg_exo -51.95 -24.3 18.79 Favored 'Trans proline' 0 C--N 1.364 1.368 0 C-N-CA 122.21 1.94 . . . . 0.0 113.872 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.593 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 37.0 m -109.94 -26.41 9.77 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.576 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . . . -66.24 -15.04 62.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.734 -178.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 6' ' ' PRO . 58.4 t -73.77 -32.81 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 110.091 176.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.1 mt -66.33 -64.37 0.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.782 0.801 . . . . 0.0 110.28 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 8.8 t80 169.38 55.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.368 -1.742 . . . . 0.0 106.427 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 38.9 m 67.52 13.84 9.41 Favored 'General case' 0 C--N 1.335 -0.054 0 CA-C-N 114.236 -1.347 . . . . 0.0 109.865 -165.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.403 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.332 -0.185 0 O-C-N 122.043 -0.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' O ' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.485 1.907 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.543 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -101.8 -0.34 34.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.239 0.542 . . . . 0.0 110.843 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 4.2 t -102.32 -16.27 16.31 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.1 p -84.62 -19.87 32.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.759 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.439 HG23 ' SG ' ' A' ' 8' ' ' CYS . 2.7 t -106.15 116.41 59.5 Favored Pre-proline 0 N--CA 1.452 -0.374 0 CA-C-O 120.992 0.425 . . . . 0.0 110.184 177.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.605 ' O ' HG23 ' A' ' 10' ' ' VAL . 80.5 Cg_exo -48.0 -46.01 23.32 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.672 2.914 . . . . 0.0 115.275 -175.147 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 69.8 Cg_exo -45.09 -40.55 15.79 Favored 'Trans proline' 0 C--N 1.363 1.317 0 C-N-CA 122.443 2.095 . . . . 0.0 114.52 -176.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 8.6 p -107.2 -11.65 15.55 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.172 178.615 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . . . -71.38 -22.09 61.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.353 175.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 6' ' ' PRO . 66.6 t -71.51 -20.51 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.918 0.389 . . . . 0.0 110.758 177.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.7 mt -70.08 -70.48 0.29 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 122.095 0.95 . . . . 0.0 109.406 174.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.7 t80 178.05 57.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.398 -1.728 . . . . 0.0 106.426 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 60.3 m 70.49 13.34 7.43 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.353 -166.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.493 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.333 -0.148 0 O-C-N 121.943 -0.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.868 0 N-CA-C 111.854 -0.498 . . . . 0.0 111.854 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.591 ' HA ' HG22 ' A' ' 5' ' ' THR . 3.5 p -94.32 3.31 55.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.042 0.421 . . . . 0.0 111.188 -177.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m -87.99 -30.76 19.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.047 0.451 . . . . 0.0 110.126 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 p -85.64 8.83 18.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.235 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.591 HG22 ' HA ' ' A' ' 2' ' ' CYS . 12.2 t -138.13 133.95 17.59 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.6 ' O ' HG23 ' A' ' 10' ' ' VAL . 82.4 Cg_exo -52.32 -47.11 28.62 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.343 2.695 . . . . 0.0 115.428 -172.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 4.8 Cg_endo -51.56 -12.46 1.04 Allowed 'Trans proline' 0 C--N 1.364 1.387 0 C-N-CA 122.971 2.448 . . . . 0.0 115.423 -173.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 43.2 t -127.85 -21.66 3.66 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.837 -0.539 . . . . 0.0 111.423 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.15 -9.23 59.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.438 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 6' ' ' PRO . 83.9 t -76.26 -33.32 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.438 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 39.7 mt -60.62 -68.83 0.26 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.798 0.809 . . . . 0.0 109.683 172.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.468 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 25.0 t80 163.58 50.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 12' ' ' TYR . 15.9 m 68.89 26.05 5.95 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 113.911 -1.495 . . . . 0.0 109.511 -163.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.195 0 O-C-N 122.229 -0.294 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 112.379 -0.288 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 t -72.44 -24.68 61.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.778 0.323 . . . . 0.0 111.484 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.2 m -75.4 -18.74 59.86 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.218 -0.301 . . . . 0.0 111.342 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.5 m -96.73 11.84 34.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.596 HG23 ' HB3' ' A' ' 8' ' ' CYS . 2.5 t -130.71 126.83 22.06 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.696 ' O ' HG23 ' A' ' 10' ' ' VAL . 77.2 Cg_exo -54.38 -54.09 5.18 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.115 2.544 . . . . 0.0 114.604 -172.371 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.487 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 52.7 Cg_endo -70.94 14.16 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.791 1.661 . . . . 0.0 113.875 -176.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.596 ' HB3' HG23 ' A' ' 5' ' ' THR . 9.0 t -129.02 -26.45 2.63 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.974 0.416 . . . . 0.0 110.09 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.06 -13.0 59.19 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.808 174.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 6' ' ' PRO . 61.8 t -71.96 -31.15 39.53 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.098 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.244 178.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.455 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 15.3 mt -61.07 -67.19 0.43 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.845 0.831 . . . . 0.0 109.329 173.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 22.5 t80 163.93 45.78 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 112.941 -1.936 . . . . 0.0 105.902 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 69.6 m 64.3 39.59 7.17 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 113.891 -1.504 . . . . 0.0 108.812 -162.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.025 0 O-C-N 122.157 -0.339 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.486 ' HA ' HG22 ' A' ' 5' ' ' THR . 42.8 t -73.37 -19.45 61.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.978 0.418 . . . . 0.0 111.169 -177.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.3 m -83.51 -9.27 59.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.041 -0.412 . . . . 0.0 110.874 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.7 p -113.2 -23.65 9.84 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 2' ' ' CYS . 12.8 t -89.55 119.87 69.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.521 -177.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.531 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 79.4 Cg_exo -43.22 -48.52 7.98 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.774 2.983 . . . . 0.0 115.382 -175.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -46.28 -39.47 21.3 Favored 'Trans proline' 0 C--N 1.364 1.368 0 C-N-CA 123.063 2.509 . . . . 0.0 114.571 -176.141 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 25.2 p -115.34 -19.81 10.57 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.04 -0.664 . . . . 0.0 111.435 -178.288 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -71.1 -20.91 62.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 175.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.74 -37.03 78.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.253 0.549 . . . . 0.0 110.444 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 15.4 mt -60.77 -61.46 2.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.875 177.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 9.2 t80 163.24 51.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 112.856 -1.974 . . . . 0.0 106.542 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 19.1 t 64.96 25.77 12.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.819 -166.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . 0.411 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.332 -0.19 0 O-C-N 121.865 -0.522 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.45 ' O ' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.484 1.872 0 N-CA-C 112.107 -0.397 . . . . 0.0 112.107 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.577 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -89.38 11.01 20.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -175.476 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.7 m -100.15 -35.13 9.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.081 0.467 . . . . 0.0 110.386 174.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.8 t -83.37 -7.35 59.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.387 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.541 HG23 ' HB3' ' A' ' 8' ' ' CYS . 3.1 t -105.71 111.72 64.64 Favored Pre-proline 0 C--O 1.236 0.363 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 10' ' ' VAL . 78.1 Cg_exo -49.96 -50.71 12.56 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.245 2.63 . . . . 0.0 114.395 -175.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 17.6 Cg_endo -59.84 -11.17 14.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.292 1.995 . . . . 0.0 114.033 -177.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.541 ' HB3' HG23 ' A' ' 5' ' ' THR . 41.9 t -114.91 -20.11 10.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.002 0.429 . . . . 0.0 110.379 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.91 -16.9 59.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.611 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 6' ' ' PRO . 48.7 t -70.23 -29.12 38.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.46 177.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.3 mt -64.21 -68.13 0.38 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.705 0.765 . . . . 0.0 109.76 176.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 6.6 t80 168.92 50.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 20.6 m 66.93 25.6 9.37 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 113.91 -1.496 . . . . 0.0 109.232 -163.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.119 0 O-C-N 122.07 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 t -96.3 -23.8 16.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.131 0.491 . . . . 0.0 109.679 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.535 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 51.1 t -74.91 -25.54 58.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.147 178.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 p -83.73 -8.33 59.28 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.474 HG23 ' HB3' ' A' ' 8' ' ' CYS . 3.2 t -108.88 129.1 24.33 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.934 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.566 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 73.2 Cg_exo -50.24 -50.64 12.9 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.607 2.871 . . . . 0.0 114.922 -175.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.566 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 30.2 Cg_exo -64.72 -2.72 5.67 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.171 1.914 . . . . 0.0 113.443 -177.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.474 ' HB3' HG23 ' A' ' 5' ' ' THR . 51.0 t -121.76 -34.07 3.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.777 0.322 . . . . 0.0 110.328 177.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.935 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -68.87 -14.74 63.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.588 175.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.46 -37.58 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.279 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.12 -64.11 0.94 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.873 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 179.69 41.54 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 112.866 -1.97 . . . . 0.0 107.926 -176.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.935 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 59.6 m 67.07 14.98 10.01 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.927 -165.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.102 0 CA-C-N 116.323 -0.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 112.187 -0.365 . . . . 0.0 112.187 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -75.32 -10.69 59.69 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -176.4 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.6 m -87.49 -18.46 29.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.914 0.388 . . . . 0.0 110.463 174.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 t -102.54 7.66 40.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.01 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.537 HG23 ' HB3' ' A' ' 8' ' ' CYS . 2.1 t -122.37 114.95 30.17 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.666 ' O ' HG23 ' A' ' 10' ' ' VAL . 86.4 Cg_exo -48.48 -50.56 12.02 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.268 2.645 . . . . 0.0 114.56 -174.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.575 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 51.8 Cg_exo -57.73 -28.99 84.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 122.244 1.962 . . . . 0.0 113.722 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.537 ' HB3' HG23 ' A' ' 5' ' ' THR . 53.5 t -97.59 -23.67 15.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.322 0.582 . . . . 0.0 110.17 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.72 -18.41 62.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.612 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 6' ' ' PRO . 98.3 t -68.77 -33.66 60.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 177.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 28.1 mt -61.72 -68.45 0.32 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.842 0.83 . . . . 0.0 109.484 175.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 3.9 t80 168.71 51.09 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.005 -1.907 . . . . 0.0 106.039 177.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 52.8 m 69.42 24.01 5.9 Favored 'General case' 0 C--O 1.227 -0.094 0 CA-C-N 114.277 -1.329 . . . . 0.0 109.316 -163.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.175 0 O-C-N 122.231 -0.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.764 0.316 . . . . 0.0 111.268 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.7 m -88.07 -41.23 13.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.089 0.471 . . . . 0.0 110.405 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 t -80.57 6.99 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.757 -176.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 8' ' ' CYS . 1.9 t -117.98 116.99 35.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.606 ' O ' HG23 ' A' ' 10' ' ' VAL . 89.1 Cg_exo -48.26 -49.4 14.33 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.549 2.833 . . . . 0.0 114.654 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.523 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 47.9 Cg_exo -58.42 -25.06 71.8 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 122.175 1.917 . . . . 0.0 113.767 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.488 ' HB3' HG23 ' A' ' 5' ' ' THR . 52.0 t -102.49 -25.53 13.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.1 0.476 . . . . 0.0 110.491 -178.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.85 -16.33 63.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.502 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 6' ' ' PRO . 42.6 t -69.8 -34.0 58.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.823 0.344 . . . . 0.0 110.271 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 48.6 mt -61.49 -67.86 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.76 0.791 . . . . 0.0 110.099 176.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 11.0 t80 167.5 51.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 35.0 t . . . . . 0 CA--C 1.527 0.071 0 CA-C-N 113.929 -1.487 . . . . 0.0 108.529 -163.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 t . . . . . 0 CA--C 1.529 0.159 0 CA-C-O 120.504 0.193 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.8 m -78.79 -8.81 59.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 m -99.6 -13.85 19.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 t -110.75 121.34 41.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-O 120.826 0.346 . . . . 0.0 110.121 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.712 ' O ' HG23 ' A' ' 10' ' ' VAL . 88.6 Cg_exo -47.97 -51.58 9.68 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.059 2.506 . . . . 0.0 114.397 -174.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.604 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 52.6 Cg_exo -58.44 -20.52 49.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 122.293 1.995 . . . . 0.0 114.041 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 t -104.7 -20.21 13.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.258 0.551 . . . . 0.0 110.035 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.47 -10.39 57.52 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.968 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 6' ' ' PRO . 85.7 t -72.67 -35.3 49.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 175.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 38.8 mt -55.08 -68.37 0.2 Allowed 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.754 0.788 . . . . 0.0 110.023 176.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.531 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 5.6 t80 162.56 51.23 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.456 -0.174 0 CA-C-N 113.954 -1.475 . . . . 0.0 109.022 -161.766 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.226 -0.141 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.3 m -103.98 -2.5 25.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.959 0.409 . . . . 0.0 110.231 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 p -119.35 -22.64 6.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.666 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.3 t -96.99 126.81 41.12 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.042 0.449 . . . . 0.0 110.335 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.576 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 85.5 Cg_exo -50.3 -45.32 34.49 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.396 2.731 . . . . 0.0 115.21 -175.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -47.94 -29.52 11.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 C-N-CA 122.888 2.392 . . . . 0.0 114.488 -175.475 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.8 p -127.67 -18.24 4.38 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.93 -18.42 62.65 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.318 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.4 t -70.97 -35.84 61.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 28.8 mt -57.85 -68.84 0.2 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.565 0.698 . . . . 0.0 110.003 175.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.415 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 22.5 t80 169.04 52.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 2' ' ' CYS . 72.8 m . . . . . 0 C--N 1.339 0.149 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.433 -165.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.476 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 7.8 t . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 120.981 0.42 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.0 m -99.05 -3.32 35.03 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.258 -0.276 . . . . 0.0 110.73 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.5 p -119.76 -28.7 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.87 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 t -83.86 121.43 75.97 Favored Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.417 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.599 ' O ' HG23 ' A' ' 10' ' ' VAL . 80.9 Cg_exo -46.46 -47.76 14.8 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.368 2.712 . . . . 0.0 114.847 -176.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 75.0 Cg_exo -45.61 -33.31 9.61 Favored 'Trans proline' 0 C--N 1.362 1.263 0 C-N-CA 122.667 2.244 . . . . 0.0 114.642 -176.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 p -123.28 -12.45 7.83 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.221 -0.591 . . . . 0.0 111.934 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.12 -12.05 59.89 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.702 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 6' ' ' PRO . 42.0 t -80.85 -22.25 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.229 178.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 26.6 mt -66.34 -65.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.761 0.791 . . . . 0.0 109.451 172.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 12.9 t80 160.6 58.54 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 112.966 -1.925 . . . . 0.0 106.311 178.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 2' ' ' CYS . 71.3 m . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 114.407 -1.27 . . . . 0.0 108.81 -164.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.87 ' HA ' HG22 ' A' ' 5' ' ' THR . 1.7 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.8 m -90.91 -17.52 26.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.055 0.455 . . . . 0.0 110.227 173.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.9 p -112.97 4.11 16.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.373 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.87 HG22 ' HA ' ' A' ' 2' ' ' CYS . 14.3 t -121.81 132.16 24.29 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 120.858 0.361 . . . . 0.0 110.69 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.525 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 80.6 Cg_exo -49.15 -46.39 25.86 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 123.768 2.979 . . . . 0.0 114.923 -177.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 9.8 Cg_endo -54.45 -18.87 15.93 Favored 'Trans proline' 0 C--N 1.362 1.252 0 C-N-CA 122.38 2.053 . . . . 0.0 113.963 -176.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 20.0 m -120.62 -35.5 3.37 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.311 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.79 -10.1 34.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 6' ' ' PRO . 84.2 t -82.63 -29.95 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.414 177.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 14.3 mt -67.35 -66.94 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.65 0.738 . . . . 0.0 109.61 174.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.554 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 6.2 t80 166.97 59.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 12' ' ' TYR . 24.6 m . . . . . 0 N--CA 1.463 0.18 0 CA-C-N 114.225 -1.352 . . . . 0.0 109.624 -164.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.5 OUTLIER . . . . . 0 CA--C 1.528 0.118 0 CA-C-O 121.127 0.489 . . . . 0.0 110.286 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 42.5 t -82.13 -22.91 35.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.198 0.523 . . . . 0.0 110.166 177.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.3 p -84.7 22.43 1.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.74 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.483 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 3.1 t -148.51 118.59 4.17 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 120.759 0.314 . . . . 0.0 110.612 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.541 ' O ' HG23 ' A' ' 10' ' ' VAL . 6.3 Cg_exo -44.32 -49.39 8.91 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 124.021 3.147 . . . . 0.0 114.919 -175.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.449 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 53.2 Cg_exo -56.58 -27.94 72.04 Favored 'Trans proline' 0 C--N 1.363 1.341 0 C-N-CA 122.171 1.914 . . . . 0.0 113.685 -177.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 45.6 t -98.15 -20.21 17.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.236 0.541 . . . . 0.0 109.859 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.571 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -71.54 -16.72 62.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.759 175.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 6' ' ' PRO . 58.0 t -66.31 -37.34 79.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.015 175.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.8 mt -58.95 -69.03 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 122.139 0.971 . . . . 0.0 109.939 175.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 20.9 t80 173.42 45.02 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 60.4 m . . . . . 0 CA--C 1.521 -0.147 0 CA-C-N 113.715 -1.584 . . . . 0.0 109.667 -165.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.526 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 1.1 m . . . . . 0 N--CA 1.456 -0.136 0 N-CA-C 111.508 0.188 . . . . 0.0 111.508 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 m -88.1 -36.59 16.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.944 0.402 . . . . 0.0 109.939 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.9 p -84.24 -6.57 59.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.043 -177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 t -113.62 118.41 43.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.415 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.613 ' O ' HG23 ' A' ' 10' ' ' VAL . 76.7 Cg_exo -49.31 -49.26 15.97 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 123.09 2.527 . . . . 0.0 114.587 -176.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.515 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 50.6 Cg_exo -58.19 -31.06 92.54 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 122.179 1.919 . . . . 0.0 114.197 -176.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.5 t -96.6 -18.77 19.52 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.29 0.567 . . . . 0.0 109.736 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.21 -16.88 60.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.83 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 6' ' ' PRO . 57.7 t -66.97 -37.73 79.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.207 176.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -56.22 -70.0 0.13 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.887 0.851 . . . . 0.0 110.002 176.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.0 t80 170.21 52.08 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 37.4 t . . . . . 0 N--CA 1.451 -0.411 0 CA-C-N 113.919 -1.492 . . . . 0.0 108.279 -163.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.966 0.412 . . . . 0.0 110.795 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.9 m -82.52 -38.59 23.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.01 0.433 . . . . 0.0 110.544 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 m -79.53 -10.09 59.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.975 -174.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.66 HG23 ' HB3' ' A' ' 8' ' ' CYS . 2.6 t -100.52 118.2 61.44 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.824 0.345 . . . . 0.0 110.527 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.612 ' O ' HG23 ' A' ' 10' ' ' VAL . 89.2 Cg_exo -49.34 -50.51 12.77 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.326 2.684 . . . . 0.0 114.64 -175.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 25.9 Cg_endo -63.28 -7.71 12.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 122.17 1.913 . . . . 0.0 113.881 -177.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.66 ' HB3' HG23 ' A' ' 5' ' ' THR . 53.1 t -115.36 -30.76 6.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.999 0.428 . . . . 0.0 110.556 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.97 -13.83 62.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.528 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 6' ' ' PRO . 75.8 t -71.97 -34.27 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 110.427 176.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.9 mt -62.37 -65.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.736 0.779 . . . . 0.0 110.376 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 13.3 t80 168.11 51.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 46.3 t . . . . . 0 N--CA 1.456 -0.138 0 CA-C-N 113.863 -1.517 . . . . 0.0 108.805 -164.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.597 ' HA ' HG22 ' A' ' 5' ' ' THR . 28.0 t . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 120.951 0.405 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.6 t -71.82 -11.74 60.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.993 0.425 . . . . 0.0 110.939 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 p -115.72 21.65 13.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.921 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 2' ' ' CYS . 13.8 t -137.17 126.35 15.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.149 176.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.495 ' O ' HG23 ' A' ' 10' ' ' VAL . 80.8 Cg_exo -47.08 -46.02 20.03 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.65 2.9 . . . . 0.0 114.971 -176.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 57.8 Cg_exo -43.98 -33.87 5.82 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 122.815 2.343 . . . . 0.0 114.816 -176.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.2 p -129.02 -7.42 4.91 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.544 -0.462 . . . . 0.0 112.135 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.743 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -71.77 -23.8 61.65 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.929 -0.309 . . . . 0.0 111.186 176.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 6' ' ' PRO . 39.3 t -71.11 -25.74 26.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.777 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.6 mt -66.16 -67.8 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.877 0.846 . . . . 0.0 109.618 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -177.65 50.84 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 113.562 -1.654 . . . . 0.0 107.231 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.743 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 21.8 m . . . . . 0 C--N 1.332 -0.161 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.282 -169.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.3 m . . . . . 0 C--O 1.233 0.188 0 N-CA-C 111.744 0.276 . . . . 0.0 111.744 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.3 m -84.82 -33.82 22.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.145 0.498 . . . . 0.0 110.116 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.7 p -85.86 -10.61 55.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.038 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 2' ' ' CYS . 14.0 t -118.36 133.99 23.46 Favored Pre-proline 0 C--N 1.326 -0.453 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.221 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.552 ' O ' HG23 ' A' ' 10' ' ' VAL . 73.1 Cg_exo -49.87 -47.33 23.8 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.463 2.775 . . . . 0.0 114.606 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.452 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 81.2 Cg_exo -44.97 -27.18 2.4 Favored 'Trans proline' 0 C--N 1.366 1.458 0 C-N-CA 122.79 2.327 . . . . 0.0 114.195 -177.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 27.4 m -114.53 -32.16 5.98 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.068 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.66 -14.6 58.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 6' ' ' PRO . 87.7 t -79.03 -27.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.769 178.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.53 -66.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.945 0.878 . . . . 0.0 109.535 174.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.3 t80 172.24 55.57 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.029 -1.896 . . . . 0.0 106.439 177.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 41.9 t . . . . . 0 CA--C 1.529 0.146 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.943 -165.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.461 0.083 0 CA-C-O 121.159 0.504 . . . . 0.0 110.352 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 47.1 t -78.32 -31.58 48.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 m -82.97 4.85 24.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.97 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.489 HG23 ' HB3' ' A' ' 8' ' ' CYS . 10.1 t -118.81 120.28 31.65 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.569 ' O ' HG23 ' A' ' 10' ' ' VAL . 80.2 Cg_exo -45.85 -50.4 9.72 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.637 2.891 . . . . 0.0 114.671 -174.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 14.2 Cg_endo -60.03 -21.45 65.24 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.118 1.879 . . . . 0.0 113.657 -176.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.489 ' HB3' HG23 ' A' ' 5' ' ' THR . 47.9 t -105.98 -24.89 12.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.983 0.42 . . . . 0.0 110.367 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.492 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -68.09 -19.17 64.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.876 177.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 6' ' ' PRO . 97.3 t -66.03 -37.94 80.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.414 176.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.6 mt -58.39 -67.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 122.016 0.913 . . . . 0.0 110.503 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.8 t80 172.5 53.71 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.2 m . . . . . 0 N--CA 1.454 -0.253 0 CA-C-N 114.066 -1.425 . . . . 0.0 109.591 -166.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.716 0.293 . . . . 0.0 111.763 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.4 m -114.24 5.5 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.031 0.443 . . . . 0.0 110.097 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 p -118.54 -32.44 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.804 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.451 ' OG1' ' HD2' ' A' ' 7' ' ' PRO . 2.5 t -88.21 118.3 69.39 Favored Pre-proline 0 C--O 1.235 0.332 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.405 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 87.4 Cg_exo -47.87 -46.87 20.37 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.508 2.805 . . . . 0.0 114.815 -176.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.451 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 72.5 Cg_exo -44.15 -35.11 7.47 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.756 2.304 . . . . 0.0 114.619 -177.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 p -116.47 -26.72 6.99 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.434 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.75 -16.52 63.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.686 0.279 . . . . 0.0 111.133 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.6 p -68.17 -38.06 79.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.141 0.496 . . . . 0.0 110.224 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.483 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.2 mt -60.32 -64.38 0.97 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.913 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.483 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 7.6 t80 165.57 52.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 112.929 -1.941 . . . . 0.0 106.483 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 2' ' ' CYS . 95.5 m . . . . . 0 C--O 1.233 0.228 0 CA-C-N 113.979 -1.464 . . . . 0.0 109.632 -166.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.846 ' HA ' HG22 ' A' ' 5' ' ' THR . 1.3 m . . . . . 0 N--CA 1.463 0.212 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.482 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 48.4 t -82.06 -20.92 37.27 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.181 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.3 m -98.04 1.95 48.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.289 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.846 HG22 ' HA ' ' A' ' 2' ' ' CYS . 13.1 t -125.28 127.97 24.86 Favored Pre-proline 0 C--N 1.326 -0.432 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.796 -178.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.569 ' O ' HG23 ' A' ' 10' ' ' VAL . 83.5 Cg_exo -48.29 -46.19 23.76 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.514 2.809 . . . . 0.0 114.562 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.438 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 73.8 Cg_exo -51.95 -24.3 18.79 Favored 'Trans proline' 0 C--N 1.364 1.368 0 C-N-CA 122.21 1.94 . . . . 0.0 113.872 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.593 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 37.0 m -109.94 -26.41 9.77 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.576 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . . . -66.24 -15.04 62.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.734 -178.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 6' ' ' PRO . 58.4 t -73.77 -32.81 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 110.091 176.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.1 mt -66.33 -64.37 0.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.782 0.801 . . . . 0.0 110.28 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 8.8 t80 169.38 55.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.368 -1.742 . . . . 0.0 106.427 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 38.9 m . . . . . 0 C--N 1.335 -0.054 0 CA-C-N 114.236 -1.347 . . . . 0.0 109.865 -165.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.543 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 121.239 0.542 . . . . 0.0 110.843 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 4.2 t -102.32 -16.27 16.31 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.1 p -84.62 -19.87 32.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.759 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.439 HG23 ' SG ' ' A' ' 8' ' ' CYS . 2.7 t -106.15 116.41 59.5 Favored Pre-proline 0 N--CA 1.452 -0.374 0 CA-C-O 120.992 0.425 . . . . 0.0 110.184 177.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.605 ' O ' HG23 ' A' ' 10' ' ' VAL . 80.5 Cg_exo -48.0 -46.01 23.32 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.672 2.914 . . . . 0.0 115.275 -175.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 69.8 Cg_exo -45.09 -40.55 15.79 Favored 'Trans proline' 0 C--N 1.363 1.317 0 C-N-CA 122.443 2.095 . . . . 0.0 114.52 -176.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.439 ' SG ' HG23 ' A' ' 5' ' ' THR . 8.6 p -107.2 -11.65 15.55 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.172 178.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . . . -71.38 -22.09 61.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.353 175.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 6' ' ' PRO . 66.6 t -71.51 -20.51 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.918 0.389 . . . . 0.0 110.758 177.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.7 mt -70.08 -70.48 0.29 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 122.095 0.95 . . . . 0.0 109.406 174.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.7 t80 178.05 57.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.398 -1.728 . . . . 0.0 106.426 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 60.3 m . . . . . 0 N--CA 1.457 -0.098 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.353 -166.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.591 ' HA ' HG22 ' A' ' 5' ' ' THR . 3.5 p . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 120.658 0.266 . . . . 0.0 111.188 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m -87.99 -30.76 19.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.047 0.451 . . . . 0.0 110.126 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 p -85.64 8.83 18.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.235 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.591 HG22 ' HA ' ' A' ' 2' ' ' CYS . 12.2 t -138.13 133.95 17.59 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.6 ' O ' HG23 ' A' ' 10' ' ' VAL . 82.4 Cg_exo -52.32 -47.11 28.62 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.343 2.695 . . . . 0.0 115.428 -172.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 4.8 Cg_endo -51.56 -12.46 1.04 Allowed 'Trans proline' 0 C--N 1.364 1.387 0 C-N-CA 122.971 2.448 . . . . 0.0 115.423 -173.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 43.2 t -127.85 -21.66 3.66 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.837 -0.539 . . . . 0.0 111.423 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.15 -9.23 59.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.438 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 6' ' ' PRO . 83.9 t -76.26 -33.32 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.438 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 39.7 mt -60.62 -68.83 0.26 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.798 0.809 . . . . 0.0 109.683 172.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.468 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 25.0 t80 163.58 50.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 12' ' ' TYR . 15.9 m . . . . . 0 N--CA 1.462 0.147 0 CA-C-N 113.911 -1.495 . . . . 0.0 109.511 -163.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 t . . . . . 0 CA--C 1.531 0.212 0 CA-C-O 120.778 0.323 . . . . 0.0 111.484 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.2 m -75.4 -18.74 59.86 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.218 -0.301 . . . . 0.0 111.342 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.5 m -96.73 11.84 34.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.596 HG23 ' HB3' ' A' ' 8' ' ' CYS . 2.5 t -130.71 126.83 22.06 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.696 ' O ' HG23 ' A' ' 10' ' ' VAL . 77.2 Cg_exo -54.38 -54.09 5.18 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.115 2.544 . . . . 0.0 114.604 -172.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.487 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 52.7 Cg_endo -70.94 14.16 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.791 1.661 . . . . 0.0 113.875 -176.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.596 ' HB3' HG23 ' A' ' 5' ' ' THR . 9.0 t -129.02 -26.45 2.63 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.974 0.416 . . . . 0.0 110.09 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.06 -13.0 59.19 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.808 174.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 6' ' ' PRO . 61.8 t -71.96 -31.15 39.53 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.098 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.244 178.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.455 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 15.3 mt -61.07 -67.19 0.43 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.845 0.831 . . . . 0.0 109.329 173.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 22.5 t80 163.93 45.78 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 112.941 -1.936 . . . . 0.0 105.902 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.453 -0.277 0 CA-C-N 113.891 -1.504 . . . . 0.0 108.812 -162.444 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.486 ' HA ' HG22 ' A' ' 5' ' ' THR . 42.8 t . . . . . 0 CA--C 1.528 0.119 0 CA-C-O 120.978 0.418 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.3 m -83.51 -9.27 59.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.041 -0.412 . . . . 0.0 110.874 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.7 p -113.2 -23.65 9.84 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 2' ' ' CYS . 12.8 t -89.55 119.87 69.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.521 -177.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.531 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 79.4 Cg_exo -43.22 -48.52 7.98 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.774 2.983 . . . . 0.0 115.382 -175.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -46.28 -39.47 21.3 Favored 'Trans proline' 0 C--N 1.364 1.368 0 C-N-CA 123.063 2.509 . . . . 0.0 114.571 -176.141 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.2 p -115.34 -19.81 10.57 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.04 -0.664 . . . . 0.0 111.435 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -71.1 -20.91 62.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 175.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.74 -37.03 78.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.253 0.549 . . . . 0.0 110.444 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 15.4 mt -60.77 -61.46 2.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.875 177.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 9.2 t80 163.24 51.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 112.856 -1.974 . . . . 0.0 106.542 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 19.1 t . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.819 -166.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.577 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.219 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.7 m -100.15 -35.13 9.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.081 0.467 . . . . 0.0 110.386 174.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.8 t -83.37 -7.35 59.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.387 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.541 HG23 ' HB3' ' A' ' 8' ' ' CYS . 3.1 t -105.71 111.72 64.64 Favored Pre-proline 0 C--O 1.236 0.363 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 10' ' ' VAL . 78.1 Cg_exo -49.96 -50.71 12.56 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.245 2.63 . . . . 0.0 114.395 -175.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 17.6 Cg_endo -59.84 -11.17 14.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.292 1.995 . . . . 0.0 114.033 -177.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.541 ' HB3' HG23 ' A' ' 5' ' ' THR . 41.9 t -114.91 -20.11 10.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.002 0.429 . . . . 0.0 110.379 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.91 -16.9 59.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.611 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 6' ' ' PRO . 48.7 t -70.23 -29.12 38.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.46 177.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.3 mt -64.21 -68.13 0.38 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.705 0.765 . . . . 0.0 109.76 176.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 6.6 t80 168.92 50.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 20.6 m . . . . . 0 N--CA 1.456 -0.159 0 CA-C-N 113.91 -1.496 . . . . 0.0 109.232 -163.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.456 -0.173 0 CA-C-O 121.131 0.491 . . . . 0.0 109.679 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.535 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 51.1 t -74.91 -25.54 58.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.147 178.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 p -83.73 -8.33 59.28 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.474 HG23 ' HB3' ' A' ' 8' ' ' CYS . 3.2 t -108.88 129.1 24.33 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.934 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.566 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 73.2 Cg_exo -50.24 -50.64 12.9 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.607 2.871 . . . . 0.0 114.922 -175.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.566 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 30.2 Cg_exo -64.72 -2.72 5.67 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.171 1.914 . . . . 0.0 113.443 -177.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.474 ' HB3' HG23 ' A' ' 5' ' ' THR . 51.0 t -121.76 -34.07 3.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.777 0.322 . . . . 0.0 110.328 177.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.935 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -68.87 -14.74 63.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.588 175.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.46 -37.58 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.279 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.12 -64.11 0.94 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.873 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 179.69 41.54 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 112.866 -1.97 . . . . 0.0 107.926 -176.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.935 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 59.6 m . . . . . 0 N--CA 1.456 -0.163 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.927 -165.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER . . . . . 0 CA--C 1.528 0.099 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.6 m -87.49 -18.46 29.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.914 0.388 . . . . 0.0 110.463 174.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 t -102.54 7.66 40.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.01 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.537 HG23 ' HB3' ' A' ' 8' ' ' CYS . 2.1 t -122.37 114.95 30.17 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.666 ' O ' HG23 ' A' ' 10' ' ' VAL . 86.4 Cg_exo -48.48 -50.56 12.02 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.268 2.645 . . . . 0.0 114.56 -174.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.575 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 51.8 Cg_exo -57.73 -28.99 84.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 122.244 1.962 . . . . 0.0 113.722 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.537 ' HB3' HG23 ' A' ' 5' ' ' THR . 53.5 t -97.59 -23.67 15.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.322 0.582 . . . . 0.0 110.17 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.72 -18.41 62.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.612 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 6' ' ' PRO . 98.3 t -68.77 -33.66 60.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 177.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 28.1 mt -61.72 -68.45 0.32 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.842 0.83 . . . . 0.0 109.484 175.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 3.9 t80 168.71 51.09 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.005 -1.907 . . . . 0.0 106.039 177.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 52.8 m . . . . . 0 C--O 1.227 -0.094 0 CA-C-N 114.277 -1.329 . . . . 0.0 109.316 -163.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.935 0 N-CA-C 112.05 -0.42 . . . . 0.0 112.05 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.528 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -84.5 -1.06 55.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.764 0.316 . . . . 0.0 111.268 -178.168 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.7 m -88.07 -41.23 13.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.089 0.471 . . . . 0.0 110.405 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.0 t -80.57 6.99 10.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.757 -176.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.488 HG23 ' HB3' ' A' ' 8' ' ' CYS . 1.9 t -117.98 116.99 35.74 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.606 ' O ' HG23 ' A' ' 10' ' ' VAL . 89.1 Cg_exo -48.26 -49.4 14.33 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.549 2.833 . . . . 0.0 114.654 -176.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.523 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 47.9 Cg_exo -58.42 -25.06 71.8 Favored 'Trans proline' 0 C--N 1.362 1.238 0 C-N-CA 122.175 1.917 . . . . 0.0 113.767 -176.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.488 ' HB3' HG23 ' A' ' 5' ' ' THR . 52.0 t -102.49 -25.53 13.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.1 0.476 . . . . 0.0 110.491 -178.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.85 -16.33 63.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.502 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 6' ' ' PRO . 42.6 t -69.8 -34.0 58.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.823 0.344 . . . . 0.0 110.271 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 48.6 mt -61.49 -67.86 0.37 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.76 0.791 . . . . 0.0 110.099 176.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.423 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 11.0 t80 167.5 51.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 105.991 -1.855 . . . . 0.0 105.991 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.528 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 35.0 t 68.64 24.05 6.96 Favored 'General case' 0 CA--C 1.527 0.071 0 CA-C-N 113.929 -1.487 . . . . 0.0 108.529 -163.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.13 0 O-C-N 121.829 -0.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.902 0 N-CA-C 112.229 -0.348 . . . . 0.0 112.229 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.39 -28.8 67.42 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.799 -0.236 . . . . 0.0 111.236 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.8 m -78.79 -8.81 59.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 m -99.6 -13.85 19.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 t -110.75 121.34 41.3 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-O 120.826 0.346 . . . . 0.0 110.121 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.712 ' O ' HG23 ' A' ' 10' ' ' VAL . 88.6 Cg_exo -47.97 -51.58 9.68 Favored 'Trans proline' 0 CA--C 1.538 0.681 0 C-N-CA 123.059 2.506 . . . . 0.0 114.397 -174.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.604 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 52.6 Cg_exo -58.44 -20.52 49.17 Favored 'Trans proline' 0 C--N 1.36 1.155 0 C-N-CA 122.293 1.995 . . . . 0.0 114.041 -176.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.6 t -104.7 -20.21 13.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.258 0.551 . . . . 0.0 110.035 -178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -84.47 -10.39 57.52 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.968 176.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 6' ' ' PRO . 85.7 t -72.67 -35.3 49.97 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.227 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 175.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 38.8 mt -55.08 -68.37 0.2 Allowed 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.754 0.788 . . . . 0.0 110.023 176.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.531 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 5.6 t80 162.56 51.23 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.6 m 63.75 35.94 10.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 113.954 -1.475 . . . . 0.0 109.022 -161.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.094 0 O-C-N 122.159 -0.338 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.428 ' O ' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.484 1.858 0 N-CA-C 111.629 -0.588 . . . . 0.0 111.629 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.593 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -80.9 2.35 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 117.232 0.516 . . . . 0.0 112.145 -178.315 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.3 m -103.98 -2.5 25.97 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.959 0.409 . . . . 0.0 110.231 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.9 p -119.35 -22.64 6.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.666 -178.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 1' ' ' GLY . 13.3 t -96.99 126.81 41.12 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.042 0.449 . . . . 0.0 110.335 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.576 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 85.5 Cg_exo -50.3 -45.32 34.49 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.396 2.731 . . . . 0.0 115.21 -175.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.576 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -47.94 -29.52 11.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 C-N-CA 122.888 2.392 . . . . 0.0 114.488 -175.475 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 23.8 p -127.67 -18.24 4.38 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -177.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.93 -18.42 62.65 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.318 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.4 t -70.97 -35.84 61.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 28.8 mt -57.85 -68.84 0.2 Allowed 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 121.565 0.698 . . . . 0.0 110.003 175.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.415 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 22.5 t80 169.04 52.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.593 ' HA ' ' O ' ' A' ' 2' ' ' CYS . 72.8 m 70.41 19.48 6.36 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.433 -165.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.408 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.333 -0.151 0 O-C-N 122.019 -0.426 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.47 ' O ' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.484 1.847 0 N-CA-C 112.108 -0.397 . . . . 0.0 112.108 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.476 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 7.8 t -77.89 -4.55 47.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.981 0.42 . . . . 0.0 111.062 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.0 m -99.05 -3.32 35.03 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.258 -0.276 . . . . 0.0 110.73 175.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.5 p -119.76 -28.7 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.87 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 1' ' ' GLY . 9.6 t -83.86 121.43 75.97 Favored Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.417 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.599 ' O ' HG23 ' A' ' 10' ' ' VAL . 80.9 Cg_exo -46.46 -47.76 14.8 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.368 2.712 . . . . 0.0 114.847 -176.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 75.0 Cg_exo -45.61 -33.31 9.61 Favored 'Trans proline' 0 C--N 1.362 1.263 0 C-N-CA 122.667 2.244 . . . . 0.0 114.642 -176.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 17.5 p -123.28 -12.45 7.83 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.221 -0.591 . . . . 0.0 111.934 -177.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.12 -12.05 59.89 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.702 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 6' ' ' PRO . 42.0 t -80.85 -22.25 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.229 178.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 26.6 mt -66.34 -65.47 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.761 0.791 . . . . 0.0 109.451 172.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.441 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 12.9 t80 160.6 58.54 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 112.966 -1.925 . . . . 0.0 106.311 178.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 2' ' ' CYS . 71.3 m 67.96 20.11 9.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.407 -1.27 . . . . 0.0 108.81 -164.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.404 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.334 -0.074 0 O-C-N 122.101 -0.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.757 -0.537 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.87 ' HA ' HG22 ' A' ' 5' ' ' THR . 1.7 m -100.67 5.72 43.85 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -178.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.8 m -90.91 -17.52 26.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.055 0.455 . . . . 0.0 110.227 173.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.9 p -112.97 4.11 16.58 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.373 -177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.87 HG22 ' HA ' ' A' ' 2' ' ' CYS . 14.3 t -121.81 132.16 24.29 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-O 120.858 0.361 . . . . 0.0 110.69 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.525 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 80.6 Cg_exo -49.15 -46.39 25.86 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 123.768 2.979 . . . . 0.0 114.923 -177.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 9.8 Cg_endo -54.45 -18.87 15.93 Favored 'Trans proline' 0 C--N 1.362 1.252 0 C-N-CA 122.38 2.053 . . . . 0.0 113.963 -176.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 20.0 m -120.62 -35.5 3.37 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.468 -0.493 . . . . 0.0 111.311 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.79 -10.1 34.43 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 6' ' ' PRO . 84.2 t -82.63 -29.95 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.414 177.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.473 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 14.3 mt -67.35 -66.94 0.5 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.65 0.738 . . . . 0.0 109.61 174.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.554 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 6.2 t80 166.97 59.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 106.288 -1.745 . . . . 0.0 106.288 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 12' ' ' TYR . 24.6 m 76.0 0.8 3.38 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 114.225 -1.352 . . . . 0.0 109.624 -164.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.434 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.33 -0.262 0 O-C-N 121.8 -0.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 0.5 OUTLIER -115.02 -22.83 9.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.127 0.489 . . . . 0.0 110.286 178.568 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 42.5 t -82.13 -22.91 35.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.198 0.523 . . . . 0.0 110.166 177.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.3 p -84.7 22.43 1.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.74 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.483 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 3.1 t -148.51 118.59 4.17 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-O 120.759 0.314 . . . . 0.0 110.612 178.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.541 ' O ' HG23 ' A' ' 10' ' ' VAL . 6.3 Cg_exo -44.32 -49.39 8.91 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 124.021 3.147 . . . . 0.0 114.919 -175.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.449 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 53.2 Cg_exo -56.58 -27.94 72.04 Favored 'Trans proline' 0 C--N 1.363 1.341 0 C-N-CA 122.171 1.914 . . . . 0.0 113.685 -177.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 45.6 t -98.15 -20.21 17.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.236 0.541 . . . . 0.0 109.859 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.571 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -71.54 -16.72 62.33 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.759 175.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 6' ' ' PRO . 58.0 t -66.31 -37.34 79.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.015 175.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.8 mt -58.95 -69.03 0.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 122.139 0.971 . . . . 0.0 109.939 175.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 20.9 t80 173.42 45.02 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 105.916 -1.883 . . . . 0.0 105.916 178.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 60.4 m 70.96 25.98 3.68 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 113.715 -1.584 . . . . 0.0 109.667 -165.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.076 0 CA-C-N 116.585 -0.28 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.935 0 N-CA-C 112.021 -0.432 . . . . 0.0 112.021 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.526 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 1.1 m -129.66 -10.64 4.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.694 -0.298 . . . . 0.0 111.508 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.9 m -88.1 -36.59 16.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.944 0.402 . . . . 0.0 109.939 175.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.9 p -84.24 -6.57 59.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.802 -0.636 . . . . 0.0 112.043 -177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.8 t -113.62 118.41 43.27 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.415 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.613 ' O ' HG23 ' A' ' 10' ' ' VAL . 76.7 Cg_exo -49.31 -49.26 15.97 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 123.09 2.527 . . . . 0.0 114.587 -176.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.515 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 50.6 Cg_exo -58.19 -31.06 92.54 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 122.179 1.919 . . . . 0.0 114.197 -176.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 32.5 t -96.6 -18.77 19.52 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.29 0.567 . . . . 0.0 109.736 178.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.21 -16.88 60.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.83 176.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 6' ' ' PRO . 57.7 t -66.97 -37.73 79.96 Favored 'Isoleucine or valine' 0 C--O 1.231 0.11 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.207 176.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -56.22 -70.0 0.13 Allowed 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.887 0.851 . . . . 0.0 110.002 176.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.0 t80 170.21 52.08 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.526 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 37.4 t 68.16 27.0 6.94 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 113.919 -1.492 . . . . 0.0 108.279 -163.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.434 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.334 -0.073 0 O-C-N 121.681 -0.637 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.936 0 N-CA-C 112.216 -0.354 . . . . 0.0 112.216 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.513 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -107.1 -3.32 20.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.966 0.412 . . . . 0.0 110.795 -179.724 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.9 m -82.52 -38.59 23.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.01 0.433 . . . . 0.0 110.544 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 m -79.53 -10.09 59.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.975 -174.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.66 HG23 ' HB3' ' A' ' 8' ' ' CYS . 2.6 t -100.52 118.2 61.44 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.824 0.345 . . . . 0.0 110.527 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.612 ' O ' HG23 ' A' ' 10' ' ' VAL . 89.2 Cg_exo -49.34 -50.51 12.77 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 C-N-CA 123.326 2.684 . . . . 0.0 114.64 -175.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 25.9 Cg_endo -63.28 -7.71 12.76 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 122.17 1.913 . . . . 0.0 113.881 -177.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.66 ' HB3' HG23 ' A' ' 5' ' ' THR . 53.1 t -115.36 -30.76 6.16 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.999 0.428 . . . . 0.0 110.556 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.97 -13.83 62.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.528 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 6' ' ' PRO . 75.8 t -71.97 -34.27 50.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.811 0.339 . . . . 0.0 110.427 176.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.9 mt -62.37 -65.81 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.736 0.779 . . . . 0.0 110.376 177.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.44 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 13.3 t80 168.11 51.48 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 46.3 t 67.98 22.43 8.54 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 113.863 -1.517 . . . . 0.0 108.805 -164.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.152 0 O-C-N 121.734 -0.603 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.9 0 N-CA-C 112.08 -0.408 . . . . 0.0 112.08 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.597 ' HA ' HG22 ' A' ' 5' ' ' THR . 28.0 t -72.82 -35.34 67.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.951 0.405 . . . . 0.0 110.992 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.6 t -71.82 -11.74 60.95 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.993 0.425 . . . . 0.0 110.939 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.2 p -115.72 21.65 13.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.921 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.597 HG22 ' HA ' ' A' ' 2' ' ' CYS . 13.8 t -137.17 126.35 15.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.149 176.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.495 ' O ' HG23 ' A' ' 10' ' ' VAL . 80.8 Cg_exo -47.08 -46.02 20.03 Favored 'Trans proline' 0 CA--C 1.542 0.891 0 C-N-CA 123.65 2.9 . . . . 0.0 114.971 -176.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 57.8 Cg_exo -43.98 -33.87 5.82 Favored 'Trans proline' 0 C--N 1.362 1.284 0 C-N-CA 122.815 2.343 . . . . 0.0 114.816 -176.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 26.2 p -129.02 -7.42 4.91 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.544 -0.462 . . . . 0.0 112.135 -178.093 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.743 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -71.77 -23.8 61.65 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.929 -0.309 . . . . 0.0 111.186 176.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 6' ' ' PRO . 39.3 t -71.11 -25.74 26.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.777 178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.6 mt -66.16 -67.8 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.877 0.846 . . . . 0.0 109.618 176.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -177.65 50.84 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 113.562 -1.654 . . . . 0.0 107.231 176.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.743 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 21.8 m 63.24 29.0 15.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.282 -169.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.333 -0.114 0 O-C-N 122.036 -0.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.036 0 N-CA-C 112.085 -0.406 . . . . 0.0 112.085 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 8' ' ' CYS . 1.3 m -93.53 -3.09 53.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.666 -0.314 . . . . 0.0 111.744 -179.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.3 m -84.82 -33.82 22.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.145 0.498 . . . . 0.0 110.116 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 55.7 p -85.86 -10.61 55.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.038 -176.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 2' ' ' CYS . 14.0 t -118.36 133.99 23.46 Favored Pre-proline 0 C--N 1.326 -0.453 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.221 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.552 ' O ' HG23 ' A' ' 10' ' ' VAL . 73.1 Cg_exo -49.87 -47.33 23.8 Favored 'Trans proline' 0 CA--C 1.54 0.795 0 C-N-CA 123.463 2.775 . . . . 0.0 114.606 -178.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.452 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 81.2 Cg_exo -44.97 -27.18 2.4 Favored 'Trans proline' 0 C--N 1.366 1.458 0 C-N-CA 122.79 2.327 . . . . 0.0 114.195 -177.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 27.4 m -114.53 -32.16 5.98 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.068 177.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.66 -14.6 58.94 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -177.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 6' ' ' PRO . 87.7 t -79.03 -27.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.769 178.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.53 -66.48 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.945 0.878 . . . . 0.0 109.535 174.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.3 t80 172.24 55.57 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 113.029 -1.896 . . . . 0.0 106.439 177.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.421 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 41.9 t 70.53 6.63 5.9 Favored 'General case' 0 CA--C 1.529 0.146 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.943 -165.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.164 0 O-C-N 121.694 -0.629 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.05 -22.1 49.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.159 0.504 . . . . 0.0 110.352 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . 47.1 t -78.32 -31.58 48.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.4 m -82.97 4.85 24.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.97 -178.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.489 HG23 ' HB3' ' A' ' 8' ' ' CYS . 10.1 t -118.81 120.28 31.65 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 177.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.569 ' O ' HG23 ' A' ' 10' ' ' VAL . 80.2 Cg_exo -45.85 -50.4 9.72 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 123.637 2.891 . . . . 0.0 114.671 -174.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 14.2 Cg_endo -60.03 -21.45 65.24 Favored 'Trans proline' 0 C--N 1.363 1.292 0 C-N-CA 122.118 1.879 . . . . 0.0 113.657 -176.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.489 ' HB3' HG23 ' A' ' 5' ' ' THR . 47.9 t -105.98 -24.89 12.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.983 0.42 . . . . 0.0 110.367 -179.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.492 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -68.09 -19.17 64.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.876 177.162 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 6' ' ' PRO . 97.3 t -66.03 -37.94 80.94 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.414 176.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.6 mt -58.39 -67.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 122.016 0.913 . . . . 0.0 110.503 177.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.8 t80 172.5 53.71 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.504 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 86.2 m 69.12 18.64 8.21 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 114.066 -1.425 . . . . 0.0 109.591 -166.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.421 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.335 -0.064 0 O-C-N 122.065 -0.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.953 0 N-CA-C 112.099 -0.4 . . . . 0.0 112.099 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.503 ' O ' ' HA ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -93.18 17.04 11.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 122.588 -0.36 . . . . 0.0 111.763 -177.148 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.4 m -114.24 5.5 15.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.031 0.443 . . . . 0.0 110.097 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.0 p -118.54 -32.44 4.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.804 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.451 ' OG1' ' HD2' ' A' ' 7' ' ' PRO . 2.5 t -88.21 118.3 69.39 Favored Pre-proline 0 C--O 1.235 0.332 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.405 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 87.4 Cg_exo -47.87 -46.87 20.37 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 123.508 2.805 . . . . 0.0 114.815 -176.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.451 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 72.5 Cg_exo -44.15 -35.11 7.47 Favored 'Trans proline' 0 C--N 1.363 1.314 0 C-N-CA 122.756 2.304 . . . . 0.0 114.619 -177.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 30.4 p -116.47 -26.72 6.99 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.209 -0.596 . . . . 0.0 111.434 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.75 -16.52 63.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.686 0.279 . . . . 0.0 111.133 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.6 p -68.17 -38.06 79.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.141 0.496 . . . . 0.0 110.224 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.483 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.2 mt -60.32 -64.38 0.97 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.056 -0.975 . . . . 0.0 109.913 178.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.483 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 7.6 t80 165.57 52.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 112.929 -1.941 . . . . 0.0 106.483 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 2' ' ' CYS . 95.5 m 72.6 13.86 5.25 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 113.979 -1.464 . . . . 0.0 109.632 -166.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.413 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.334 -0.095 0 O-C-N 122.008 -0.433 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.994 -0.442 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.846 ' HA ' HG22 ' A' ' 5' ' ' THR . 1.3 m -69.66 -20.54 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.482 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 48.4 t -82.06 -20.92 37.27 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.181 177.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.3 m -98.04 1.95 48.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.289 178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.846 HG22 ' HA ' ' A' ' 2' ' ' CYS . 13.1 t -125.28 127.97 24.86 Favored Pre-proline 0 C--N 1.326 -0.432 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.796 -178.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.569 ' O ' HG23 ' A' ' 10' ' ' VAL . 83.5 Cg_exo -48.29 -46.19 23.76 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 123.514 2.809 . . . . 0.0 114.562 -178.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.438 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 73.8 Cg_exo -51.95 -24.3 18.79 Favored 'Trans proline' 0 C--N 1.364 1.368 0 C-N-CA 122.21 1.94 . . . . 0.0 113.872 -178.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.593 ' HB2' ' O ' ' A' ' 2' ' ' CYS . 37.0 m -109.94 -26.41 9.77 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.576 176.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . . . -66.24 -15.04 62.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.734 -178.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 6' ' ' PRO . 58.4 t -73.77 -32.81 35.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.91 0.386 . . . . 0.0 110.091 176.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.1 mt -66.33 -64.37 0.87 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.782 0.801 . . . . 0.0 110.28 178.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.414 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 8.8 t80 169.38 55.15 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.368 -1.742 . . . . 0.0 106.427 -179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 3' ' ' CYS . 38.9 m 67.52 13.84 9.41 Favored 'General case' 0 C--N 1.335 -0.054 0 CA-C-N 114.236 -1.347 . . . . 0.0 109.865 -165.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.403 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.332 -0.185 0 O-C-N 122.043 -0.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.422 ' O ' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.485 1.907 0 N-CA-C 111.78 -0.528 . . . . 0.0 111.78 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.543 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -101.8 -0.34 34.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.239 0.542 . . . . 0.0 110.843 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 4.2 t -102.32 -16.27 16.31 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.1 p -84.62 -19.87 32.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.759 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.439 HG23 ' SG ' ' A' ' 8' ' ' CYS . 2.7 t -106.15 116.41 59.5 Favored Pre-proline 0 N--CA 1.452 -0.374 0 CA-C-O 120.992 0.425 . . . . 0.0 110.184 177.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.605 ' O ' HG23 ' A' ' 10' ' ' VAL . 80.5 Cg_exo -48.0 -46.01 23.32 Favored 'Trans proline' 0 CA--C 1.542 0.887 0 C-N-CA 123.672 2.914 . . . . 0.0 115.275 -175.147 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HD2' ' OG1' ' A' ' 5' ' ' THR . 69.8 Cg_exo -45.09 -40.55 15.79 Favored 'Trans proline' 0 C--N 1.363 1.317 0 C-N-CA 122.443 2.095 . . . . 0.0 114.52 -176.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 8.6 p -107.2 -11.65 15.55 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.172 178.615 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.53 ' HB3' ' HA ' ' A' ' 6' ' ' PRO . . . -71.38 -22.09 61.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.353 175.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 6' ' ' PRO . 66.6 t -71.51 -20.51 21.03 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 120.918 0.389 . . . . 0.0 110.758 177.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.7 mt -70.08 -70.48 0.29 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 122.095 0.95 . . . . 0.0 109.406 174.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.7 t80 178.05 57.63 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 113.398 -1.728 . . . . 0.0 106.426 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 60.3 m 70.49 13.34 7.43 Favored 'General case' 0 N--CA 1.457 -0.098 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.353 -166.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.493 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.333 -0.148 0 O-C-N 121.943 -0.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.868 0 N-CA-C 111.854 -0.498 . . . . 0.0 111.854 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.591 ' HA ' HG22 ' A' ' 5' ' ' THR . 3.5 p -94.32 3.31 55.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 117.042 0.421 . . . . 0.0 111.188 -177.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m -87.99 -30.76 19.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.047 0.451 . . . . 0.0 110.126 175.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.1 p -85.64 8.83 18.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.235 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.591 HG22 ' HA ' ' A' ' 2' ' ' CYS . 12.2 t -138.13 133.95 17.59 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.6 ' O ' HG23 ' A' ' 10' ' ' VAL . 82.4 Cg_exo -52.32 -47.11 28.62 Favored 'Trans proline' 0 CA--C 1.544 1.024 0 C-N-CA 123.343 2.695 . . . . 0.0 115.428 -172.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 4.8 Cg_endo -51.56 -12.46 1.04 Allowed 'Trans proline' 0 C--N 1.364 1.387 0 C-N-CA 122.971 2.448 . . . . 0.0 115.423 -173.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.456 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 43.2 t -127.85 -21.66 3.66 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.837 -0.539 . . . . 0.0 111.423 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.15 -9.23 59.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.438 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 6' ' ' PRO . 83.9 t -76.26 -33.32 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.438 177.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 39.7 mt -60.62 -68.83 0.26 Allowed 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.798 0.809 . . . . 0.0 109.683 172.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.468 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 25.0 t80 163.58 50.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 12' ' ' TYR . 15.9 m 68.89 26.05 5.95 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 113.911 -1.495 . . . . 0.0 109.511 -163.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.195 0 O-C-N 122.229 -0.294 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.814 0 N-CA-C 112.379 -0.288 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 t -72.44 -24.68 61.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.778 0.323 . . . . 0.0 111.484 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.2 m -75.4 -18.74 59.86 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.218 -0.301 . . . . 0.0 111.342 178.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.5 m -96.73 11.84 34.11 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.81 0.3 . . . . 0.0 111.81 -178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.596 HG23 ' HB3' ' A' ' 8' ' ' CYS . 2.5 t -130.71 126.83 22.06 Favored Pre-proline 0 C--N 1.326 -0.437 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 177.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.696 ' O ' HG23 ' A' ' 10' ' ' VAL . 77.2 Cg_exo -54.38 -54.09 5.18 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 123.115 2.544 . . . . 0.0 114.604 -172.371 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.487 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 52.7 Cg_endo -70.94 14.16 0.35 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.791 1.661 . . . . 0.0 113.875 -176.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.596 ' HB3' HG23 ' A' ' 5' ' ' THR . 9.0 t -129.02 -26.45 2.63 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.974 0.416 . . . . 0.0 110.09 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.06 -13.0 59.19 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.808 174.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 6' ' ' PRO . 61.8 t -71.96 -31.15 39.53 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.098 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.244 178.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.455 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 15.3 mt -61.07 -67.19 0.43 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.845 0.831 . . . . 0.0 109.329 173.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.455 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 22.5 t80 163.93 45.78 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 112.941 -1.936 . . . . 0.0 105.902 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 69.6 m 64.3 39.59 7.17 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 113.891 -1.504 . . . . 0.0 108.812 -162.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.025 0 O-C-N 122.157 -0.339 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.793 0 N-CA-C 111.754 -0.538 . . . . 0.0 111.754 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.486 ' HA ' HG22 ' A' ' 5' ' ' THR . 42.8 t -73.37 -19.45 61.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.978 0.418 . . . . 0.0 111.169 -177.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.3 m -83.51 -9.27 59.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.041 -0.412 . . . . 0.0 110.874 178.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.7 p -113.2 -23.65 9.84 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -178.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 2' ' ' CYS . 12.8 t -89.55 119.87 69.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 C-N-CA 120.229 -0.588 . . . . 0.0 110.521 -177.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.531 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 79.4 Cg_exo -43.22 -48.52 7.98 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.774 2.983 . . . . 0.0 115.382 -175.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -46.28 -39.47 21.3 Favored 'Trans proline' 0 C--N 1.364 1.368 0 C-N-CA 123.063 2.509 . . . . 0.0 114.571 -176.141 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 14' ' ' NH2 . 25.2 p -115.34 -19.81 10.57 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.04 -0.664 . . . . 0.0 111.435 -178.288 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -71.1 -20.91 62.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.723 0.297 . . . . 0.0 110.848 175.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.74 -37.03 78.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-O 121.253 0.549 . . . . 0.0 110.444 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 15.4 mt -60.77 -61.46 2.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.935 -1.03 . . . . 0.0 109.875 177.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.482 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 9.2 t80 163.24 51.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 112.856 -1.974 . . . . 0.0 106.542 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 19.1 t 64.96 25.77 12.72 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.819 -166.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . 0.411 ' N ' ' O ' ' A' ' 8' ' ' CYS . . . . . . . . 0 C--N 1.332 -0.19 0 O-C-N 121.865 -0.522 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.45 ' O ' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.484 1.872 0 N-CA-C 112.107 -0.397 . . . . 0.0 112.107 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.577 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -89.38 11.01 20.4 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -175.476 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.7 m -100.15 -35.13 9.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.081 0.467 . . . . 0.0 110.386 174.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.8 t -83.37 -7.35 59.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.387 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.541 HG23 ' HB3' ' A' ' 8' ' ' CYS . 3.1 t -105.71 111.72 64.64 Favored Pre-proline 0 C--O 1.236 0.363 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 176.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 10' ' ' VAL . 78.1 Cg_exo -49.96 -50.71 12.56 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 123.245 2.63 . . . . 0.0 114.395 -175.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 6' ' ' PRO . 17.6 Cg_endo -59.84 -11.17 14.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 C-N-CA 122.292 1.995 . . . . 0.0 114.033 -177.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.541 ' HB3' HG23 ' A' ' 5' ' ' THR . 41.9 t -114.91 -20.11 10.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.002 0.429 . . . . 0.0 110.379 177.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.91 -16.9 59.95 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.611 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 6' ' ' PRO . 48.7 t -70.23 -29.12 38.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.46 177.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 18.3 mt -64.21 -68.13 0.38 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.705 0.765 . . . . 0.0 109.76 176.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.443 ' HB2' ' O ' ' A' ' 11' ' ' LEU . 6.6 t80 168.92 50.27 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 106.17 -1.789 . . . . 0.0 106.17 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 20.6 m 66.93 25.6 9.37 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 113.91 -1.496 . . . . 0.0 109.232 -163.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.119 0 O-C-N 122.07 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.6 t -96.3 -23.8 16.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.131 0.491 . . . . 0.0 109.679 178.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.535 ' HB2' ' HB3' ' A' ' 13' ' ' CYS . 51.1 t -74.91 -25.54 58.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.147 178.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 p -83.73 -8.33 59.28 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.474 HG23 ' HB3' ' A' ' 8' ' ' CYS . 3.2 t -108.88 129.1 24.33 Favored Pre-proline 0 C--N 1.326 -0.45 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.934 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.566 ' HB2' ' HD3' ' A' ' 7' ' ' PRO . 73.2 Cg_exo -50.24 -50.64 12.9 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.607 2.871 . . . . 0.0 114.922 -175.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.566 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 30.2 Cg_exo -64.72 -2.72 5.67 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.171 1.914 . . . . 0.0 113.443 -177.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.474 ' HB3' HG23 ' A' ' 5' ' ' THR . 51.0 t -121.76 -34.07 3.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.777 0.322 . . . . 0.0 110.328 177.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.935 ' HA ' ' HA ' ' A' ' 13' ' ' CYS . . . -68.87 -14.74 63.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.588 175.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 8.3 p -69.46 -37.58 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.279 178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 14.4 mt -65.12 -64.11 0.94 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.938 -1.028 . . . . 0.0 109.873 179.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 179.69 41.54 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 112.866 -1.97 . . . . 0.0 107.926 -176.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.935 ' HA ' ' HA ' ' A' ' 9' ' ' ALA . 59.6 m 67.07 14.98 10.01 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 114.651 -1.159 . . . . 0.0 108.927 -165.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.102 0 CA-C-N 116.323 -0.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.483 1.782 0 N-CA-C 112.187 -0.365 . . . . 0.0 112.187 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.509 ' HB3' ' O ' ' A' ' 13' ' ' CYS . 0.2 OUTLIER -75.32 -10.69 59.69 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -176.4 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.6 m -87.49 -18.46 29.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.914 0.388 . . . . 0.0 110.463 174.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.6 t -102.54 7.66 40.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.01 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.537 HG23 ' HB3' ' A' ' 8' ' ' CYS . 2.1 t -122.37 114.95 30.17 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.666 ' O ' HG23 ' A' ' 10' ' ' VAL . 86.4 Cg_exo -48.48 -50.56 12.02 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.268 2.645 . . . . 0.0 114.56 -174.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.575 ' HD3' ' HB2' ' A' ' 6' ' ' PRO . 51.8 Cg_exo -57.73 -28.99 84.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 122.244 1.962 . . . . 0.0 113.722 -176.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.537 ' HB3' HG23 ' A' ' 5' ' ' THR . 53.5 t -97.59 -23.67 15.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.322 0.582 . . . . 0.0 110.17 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.72 -18.41 62.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.612 175.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 6' ' ' PRO . 98.3 t -68.77 -33.66 60.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.551 177.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.437 ' O ' ' HB2' ' A' ' 12' ' ' TYR . 28.1 mt -61.72 -68.45 0.32 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.842 0.83 . . . . 0.0 109.484 175.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' A' ' 13' ' ' CYS . 3.9 t80 168.71 51.09 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 113.005 -1.907 . . . . 0.0 106.039 177.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.509 ' O ' ' HB3' ' A' ' 2' ' ' CYS . 52.8 m 69.42 24.01 5.9 Favored 'General case' 0 C--O 1.227 -0.094 0 CA-C-N 114.277 -1.329 . . . . 0.0 109.316 -163.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.175 0 O-C-N 122.231 -0.293 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_