data_1jbl_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 1jbl _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.547 0 N-CA-C 113.667 0.227 . . . . 0.0 113.667 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -49.74 158.76 0.44 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 75.9 m -146.52 138.1 24.57 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.435 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.1 p -72.41 152.95 41.68 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.698 0.285 . . . . 0.0 111.188 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.435 ' C ' ' HD2' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -81.8 27.37 0.46 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -105.93 -175.2 2.73 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.596 0.236 . . . . 0.0 110.576 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.4 mt -146.35 119.7 5.14 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.864 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.14 137.81 41.34 Favored 'Cis proline' 0 C--N 1.351 0.663 0 C-N-CA 123.305 -1.54 . . . . 0.0 112.327 -0.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.07 134.19 38.63 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.836 2.358 . . . . 0.0 112.638 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -94.92 104.2 15.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.8 m -87.87 137.25 32.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.211 0.529 . . . . 0.0 111.746 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -79.87 154.4 75.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.056 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.15 -24.63 59.71 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.678 2.252 . . . . 0.0 112.571 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 CA--C 1.535 0.375 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.556 179.68 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 114.086 0.394 . . . . 0.0 114.086 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -52.94 142.0 20.56 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 64.4 m -125.31 139.79 53.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.545 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 p -70.23 157.95 36.72 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.678 0.275 . . . . 0.0 111.297 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 4.2 mptp? -85.68 36.99 0.68 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.553 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -116.05 172.98 6.82 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.368 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.3 mp -133.04 119.2 15.58 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-O 120.565 0.221 . . . . 0.0 110.792 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.28 140.9 64.92 Favored 'Cis proline' 0 C--N 1.351 0.661 0 C-N-CA 123.326 -1.531 . . . . 0.0 112.441 -0.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.57 131.06 36.08 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.743 2.295 . . . . 0.0 112.573 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.0 mt -90.4 97.88 7.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.181 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 81.2 m -85.0 136.29 33.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.321 0.581 . . . . 0.0 111.913 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.22 156.75 66.3 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.226 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.86 -24.25 63.35 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.484 2.123 . . . . 0.0 112.108 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 CA--C 1.532 0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 179.396 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.491 0 CA-C-O 120.24 -0.2 . . . . 0.0 113.551 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.7 mtm-85 -50.61 129.14 22.0 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.644 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 81.3 m -114.36 138.69 50.22 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.31 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.494 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 55.9 p -72.43 155.55 40.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.535 0.207 . . . . 0.0 110.491 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -83.87 33.05 0.48 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.495 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -103.7 -174.07 2.46 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.717 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.456 HD12 ' HD3' ' A' ' 9' ' ' PRO . 44.1 mm -144.66 115.17 5.2 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.626 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.54 142.26 68.89 Favored 'Cis proline' 0 C--N 1.35 0.656 0 C-N-CA 123.303 -1.541 . . . . 0.0 112.247 -0.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.456 ' HD3' HD12 ' A' ' 7' ' ' ILE . 43.8 Cg_exo -56.68 129.98 37.5 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.726 2.284 . . . . 0.0 112.444 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.494 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 43.7 mm -87.02 89.23 3.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.361 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.644 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.5 m -79.51 135.04 36.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.339 0.59 . . . . 0.0 111.456 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -85.89 154.47 58.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.486 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.33 -25.53 65.9 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.53 2.153 . . . . 0.0 111.811 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 CA--C 1.532 0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.001 179.216 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 113.677 0.231 . . . . 0.0 113.677 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.494 ' HD3' ' C ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -49.56 125.0 10.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.748 0.309 . . . . 0.0 111.744 -179.105 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 72.5 m -113.33 137.56 51.33 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.418 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 79.7 p -74.33 155.73 37.87 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.674 0.273 . . . . 0.0 111.036 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.481 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -83.07 31.33 0.44 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.868 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -97.77 -175.95 3.32 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.615 0.245 . . . . 0.0 110.489 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.5 mt -146.92 113.78 4.25 Favored Pre-proline 0 C--O 1.233 0.213 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.745 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -68.35 139.56 50.99 Favored 'Cis proline' 0 C--N 1.35 0.641 0 C-N-CA 123.257 -1.56 . . . . 0.0 112.503 -0.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.8 135.2 65.42 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.785 2.324 . . . . 0.0 112.217 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -95.42 103.54 14.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.425 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.4 m -88.93 135.94 33.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.211 0.529 . . . . 0.0 111.705 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.93 157.93 62.58 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.211 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.04 -26.99 71.59 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.522 2.148 . . . . 0.0 112.256 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 CA--C 1.533 0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.418 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.467 0 N-CA-C 112.724 -0.15 . . . . 0.0 112.724 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.5 mtp85 -51.39 154.57 1.73 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 81.3 m -146.61 137.12 23.87 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.024 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.6 p -73.47 151.28 41.13 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.452 0.168 . . . . 0.0 110.693 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -84.42 32.95 0.5 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.675 0.274 . . . . 0.0 111.593 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.6 p -107.77 -179.01 3.78 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.413 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 mm -138.28 117.33 9.65 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 120.583 0.23 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.412 ' O ' HD12 ' A' ' 10' ' ' ILE . 59.0 Cg_endo -71.52 143.8 77.74 Favored 'Cis proline' 0 C--N 1.35 0.644 0 C-N-CA 123.346 -1.523 . . . . 0.0 112.308 -0.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -67.65 132.27 26.53 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.804 2.336 . . . . 0.0 112.548 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.412 HD12 ' O ' ' A' ' 8' ' ' PRO . 2.7 mp -93.17 103.61 14.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.114 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 77.8 m -89.61 137.98 31.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.585 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -89.28 155.55 48.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.351 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.7 -22.18 43.1 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.155 2.57 . . . . 0.0 113.596 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 CA--C 1.532 0.265 0 CA-C-O 120.491 0.186 . . . . 0.0 110.828 179.802 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 114.133 0.413 . . . . 0.0 114.133 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -54.68 160.07 1.97 Allowed 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 117.118 0.459 . . . . 0.0 112.125 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 66.3 m -140.08 139.39 35.87 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.225 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.4 p -71.88 149.37 45.23 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.673 0.273 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.45 19.75 0.59 Allowed 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.2 p -89.26 -178.88 5.75 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.565 0.222 . . . . 0.0 110.748 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.42 HD13 ' HD3' ' A' ' 9' ' ' PRO . 44.0 mm -142.71 115.52 6.18 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.723 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.53 141.66 66.15 Favored 'Cis proline' 0 C--N 1.35 0.65 0 C-N-CA 123.357 -1.518 . . . . 0.0 112.37 -0.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HD3' HD13 ' A' ' 7' ' ' ILE . 21.9 Cg_exo -64.87 138.31 57.21 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.977 2.452 . . . . 0.0 112.678 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 10' ' ' ILE . 3.2 mp -102.35 105.78 18.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 95.6 m -83.37 137.73 33.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.264 0.554 . . . . 0.0 111.889 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -79.83 151.97 74.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.98 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -59.3 -23.13 68.54 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.594 2.196 . . . . 0.0 112.152 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 CA--C 1.533 0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.473 179.573 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 113.761 0.264 . . . . 0.0 113.761 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -52.7 134.59 36.12 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 122.492 0.317 . . . . 0.0 111.37 -178.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 67.3 m -120.63 139.39 53.07 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.855 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.5 p -77.51 155.73 31.46 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.528 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -82.33 29.49 0.42 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.9 p -96.89 177.24 5.69 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.58 0.229 . . . . 0.0 110.759 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mp -137.63 112.34 9.09 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.501 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -72.89 143.48 77.91 Favored 'Cis proline' 0 C--N 1.349 0.589 0 C-N-CA 123.312 -1.537 . . . . 0.0 112.352 -0.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -60.88 136.91 69.03 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.837 2.358 . . . . 0.0 112.661 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.478 ' N ' HD13 ' A' ' 10' ' ' ILE . 3.2 mp -99.24 106.9 19.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.364 -0.38 . . . . 0.0 109.993 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 79.5 m -89.68 134.99 33.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.434 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -80.86 158.16 70.79 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.319 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.22 -25.53 56.29 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.753 2.302 . . . . 0.0 112.509 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 CA--C 1.535 0.373 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.398 179.578 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.47 0 CA-C-O 120.344 -0.142 . . . . 0.0 113.204 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -54.12 132.04 42.2 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.328 0.251 . . . . 0.0 111.107 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 76.2 m -121.89 141.79 50.92 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.507 0.194 . . . . 0.0 111.137 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.0 p -82.7 165.91 19.56 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.879 0.371 . . . . 0.0 111.505 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.83 33.77 0.85 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.653 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -98.18 -176.62 3.47 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.76 0.314 . . . . 0.0 111.34 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.463 HD13 HG21 ' A' ' 7' ' ' ILE . 71.1 mt -138.81 106.25 7.51 Favored Pre-proline 0 C--O 1.233 0.235 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.832 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 7' ' ' ILE . 73.1 Cg_endo -74.77 149.32 93.7 Favored 'Cis proline' 0 C--N 1.352 0.716 0 C-N-CA 123.687 -1.381 . . . . 0.0 112.506 -0.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.9 132.19 48.24 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.822 2.348 . . . . 0.0 112.405 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.1 mt -88.54 102.34 12.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.379 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 80.8 m -93.05 137.32 32.51 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.547 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -87.6 165.44 30.32 Favored Pre-proline 0 C--O 1.234 0.249 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.697 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.2 -24.91 76.11 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.585 2.19 . . . . 0.0 112.522 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 179.344 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.506 0 N-CA-C 113.927 0.331 . . . . 0.0 113.927 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.9 mtp-105 -55.18 127.22 28.19 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 61.5 m -108.94 141.9 40.36 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.483 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.5 p -69.51 153.43 43.5 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.649 0.261 . . . . 0.0 111.134 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.471 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.4 35.76 0.56 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.616 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -111.16 -171.94 1.93 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.386 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.2 mt -148.97 118.44 3.99 Favored Pre-proline 0 N--CA 1.464 0.228 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.925 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -68.51 138.25 44.62 Favored 'Cis proline' 0 C--N 1.35 0.655 0 C-N-CA 123.276 -1.552 . . . . 0.0 112.344 -0.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.46 133.56 43.55 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.728 2.285 . . . . 0.0 112.532 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.448 HD12 ' N ' ' A' ' 10' ' ' ILE . 3.1 mp -95.82 104.28 15.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.4 m -84.79 134.48 34.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.254 0.55 . . . . 0.0 111.634 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -81.57 156.13 70.87 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.568 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -56.85 -26.05 64.9 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.696 2.264 . . . . 0.0 112.238 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 179.217 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.263 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -52.44 133.0 35.48 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.646 0.26 . . . . 0.0 111.544 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 62.9 m -116.83 139.77 50.22 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.561 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.5 p -70.43 152.76 43.71 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.788 0.327 . . . . 0.0 111.199 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.445 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -81.94 32.11 0.37 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.045 -179.608 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -105.28 177.37 4.87 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.708 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 mp -137.15 116.67 10.41 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.907 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.09 142.08 71.65 Favored 'Cis proline' 0 C--N 1.35 0.652 0 C-N-CA 123.316 -1.535 . . . . 0.0 112.322 -0.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -61.44 135.63 58.56 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.933 2.422 . . . . 0.0 112.866 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.491 ' N ' HD11 ' A' ' 10' ' ' ILE . 3.2 mp -98.68 106.21 18.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.836 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 79.0 m -87.58 136.17 33.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.26 0.552 . . . . 0.0 111.832 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -82.84 160.11 61.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.438 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.13 -22.83 66.26 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.699 2.266 . . . . 0.0 111.992 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.212 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.672 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.557 0 CA-C-O 120.301 -0.166 . . . . 0.0 113.366 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.71 121.33 3.48 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.773 0.429 . . . . 0.0 111.958 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 76.2 m -116.07 138.79 50.93 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.809 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.6 p -77.37 153.59 33.58 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.684 -0.234 . . . . 0.0 110.423 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 21.9 ttmm -83.7 35.78 0.52 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.024 0.44 . . . . 0.0 111.208 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -103.51 -176.16 3.01 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.33 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.8 mm -139.28 114.38 8.25 Favored Pre-proline 0 CA--C 1.53 0.19 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.825 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -72.87 143.72 78.62 Favored 'Cis proline' 0 C--N 1.349 0.604 0 C-N-CA 123.22 -1.575 . . . . 0.0 112.228 -0.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -56.22 126.23 21.68 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.629 2.219 . . . . 0.0 112.521 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.2 mt -84.97 102.13 10.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.368 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.6 m -90.81 137.32 32.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.556 0.693 . . . . 0.0 112.214 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.426 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 2.9 m-30 -84.43 161.83 52.95 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.257 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.4 -32.09 95.46 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.501 2.134 . . . . 0.0 112.19 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 CA--C 1.534 0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 179.648 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.634 0 N-CA-C 113.812 0.285 . . . . 0.0 113.812 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.2 mtm-85 -51.69 160.02 0.71 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.643 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 68.6 m -143.42 138.29 29.23 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.454 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.7 p -76.67 155.83 33.08 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.669 0.271 . . . . 0.0 111.214 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 14.81 1.28 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -79.98 -177.17 5.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.695 0.284 . . . . 0.0 110.772 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.9 mt -146.81 113.94 4.3 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.672 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -67.84 140.13 52.42 Favored 'Cis proline' 0 C--N 1.35 0.62 0 C-N-CA 123.279 -1.55 . . . . 0.0 112.515 -0.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.51 134.64 64.69 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.8 2.333 . . . . 0.0 112.378 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -95.24 103.9 15.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.253 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.643 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.7 m -86.62 137.13 32.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.2 0.524 . . . . 0.0 111.907 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -79.99 153.49 74.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.956 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.12 -23.66 62.43 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.599 2.2 . . . . 0.0 112.403 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 CA--C 1.533 0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.523 179.594 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.53 0 CA-C-O 120.391 -0.116 . . . . 0.0 113.027 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 1.3 mmp_? -49.57 152.53 1.36 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 122.883 0.473 . . . . 0.0 112.229 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 75.8 m -146.61 138.25 24.55 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.115 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.422 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 59.6 p -74.27 157.22 36.2 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.802 0.334 . . . . 0.0 111.205 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -86.27 39.61 0.83 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -124.65 -176.99 3.67 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 83.6 mt -140.77 120.52 8.6 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.056 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.27 137.29 41.97 Favored 'Cis proline' 0 C--N 1.349 0.556 0 C-N-CA 123.228 -1.572 . . . . 0.0 111.91 -0.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -62.0 127.82 22.41 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.195 1.93 . . . . 0.0 111.929 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.422 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 46.3 mm -84.88 100.04 7.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.17 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.2 m -91.91 136.66 32.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.357 0.598 . . . . 0.0 112.352 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -84.86 156.62 60.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.817 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.88 -24.58 65.2 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.885 2.39 . . . . 0.0 112.927 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 CA--C 1.535 0.368 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.036 -179.616 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 113.673 0.229 . . . . 0.0 113.673 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -52.4 127.85 23.68 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 62.3 m -110.67 143.37 41.23 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.423 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.493 HG21 ' HB ' ' A' ' 10' ' ' ILE . 62.0 p -63.08 152.02 38.31 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.762 0.315 . . . . 0.0 111.49 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -88.04 42.98 1.09 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.76 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.471 ' O ' ' HA ' ' A' ' 9' ' ' PRO . 53.2 p -144.0 152.04 40.52 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.763 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 mp -106.95 127.91 27.1 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.785 -0.189 . . . . 0.0 110.918 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 65.8 Cg_endo -73.58 135.01 38.02 Favored 'Cis proline' 0 C--N 1.352 0.758 0 C-N-CA 123.544 -1.44 . . . . 0.0 112.421 -0.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HA ' ' O ' ' A' ' 6' ' ' SER . 17.0 Cg_exo -67.61 127.22 15.99 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.811 2.341 . . . . 0.0 112.88 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.493 ' HB ' HG21 ' A' ' 4' ' ' THR . 48.2 mm -93.35 103.29 14.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.784 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.1 m -82.6 135.03 35.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.312 0.577 . . . . 0.0 111.612 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -81.93 157.71 68.59 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.546 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.35 -26.91 73.1 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.673 2.249 . . . . 0.0 112.123 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.322 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.548 0 N-CA-C 113.859 0.304 . . . . 0.0 113.859 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 49.7 ttm-85 -49.4 132.56 20.46 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 64.4 m -118.25 140.02 50.44 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.131 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.1 p -78.72 157.09 28.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.909 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.492 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 2.5 mppt? -85.07 33.16 0.54 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.444 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -91.69 -171.95 3.06 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.755 0.312 . . . . 0.0 110.776 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.9 mt -144.04 107.96 4.97 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.43 145.71 84.73 Favored 'Cis proline' 0 C--N 1.348 0.543 0 C-N-CA 123.228 -1.572 . . . . 0.0 112.297 -0.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.62 131.96 46.56 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.7 2.266 . . . . 0.0 112.274 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.9 mt -94.68 104.82 16.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.361 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.3 m -87.69 136.09 33.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.739 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -80.39 157.77 72.4 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.104 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.8 -26.28 72.92 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.588 2.192 . . . . 0.0 112.119 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.193 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 113.994 0.358 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -54.5 129.36 35.75 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.645 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 61.7 m -109.57 141.45 42.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.408 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.4 p -69.24 152.65 44.79 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.685 0.278 . . . . 0.0 111.183 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -84.68 33.83 0.53 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.63 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.4 p -105.28 -177.48 3.38 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.733 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.44 HD11 ' HD3' ' A' ' 9' ' ' PRO . 42.8 mm -143.34 115.43 5.84 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.798 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.49 141.13 66.64 Favored 'Cis proline' 0 C--N 1.349 0.605 0 C-N-CA 123.377 -1.51 . . . . 0.0 112.349 -0.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.44 ' HD3' HD11 ' A' ' 7' ' ' ILE . 24.4 Cg_exo -63.56 138.96 67.6 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.964 2.442 . . . . 0.0 112.847 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.438 ' N ' HD11 ' A' ' 10' ' ' ILE . 3.3 mp -103.92 106.13 19.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.645 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 77.5 m -83.07 136.27 34.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.281 0.563 . . . . 0.0 112.006 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -80.06 155.52 74.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.388 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.0 -26.14 80.44 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.511 2.141 . . . . 0.0 111.849 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.042 179.312 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.562 0 N-CA-C 113.732 0.253 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 56.6 mtp85 -52.7 126.62 20.46 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.649 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 62.2 m -109.04 140.24 42.84 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.653 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.7 p -74.34 154.61 38.79 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.659 0.266 . . . . 0.0 111.048 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.429 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 6.5 ttpm? -83.76 33.02 0.47 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.841 0.353 . . . . 0.0 111.265 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.4 p -95.82 -178.12 4.26 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.63 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.1 mm -143.2 111.32 5.52 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.701 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.46 142.85 73.27 Favored 'Cis proline' 0 C--N 1.349 0.591 0 C-N-CA 123.305 -1.54 . . . . 0.0 112.493 -0.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.38 136.95 77.78 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.835 2.357 . . . . 0.0 112.405 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.3 mt -101.2 104.96 17.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.323 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.649 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.2 m -84.66 136.03 33.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.291 0.567 . . . . 0.0 111.902 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -81.49 157.02 70.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.557 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.82 -27.02 76.56 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.647 2.231 . . . . 0.0 112.044 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.532 0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.301 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.495 0 N-CA-C 113.675 0.23 . . . . 0.0 113.675 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -54.18 122.93 11.29 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.662 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 61.3 m -105.38 139.94 39.26 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.542 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.9 p -70.36 147.62 49.38 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.561 0.219 . . . . 0.0 110.65 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -82.43 30.42 0.41 Allowed 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.6 p -104.65 176.23 5.23 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.618 0.247 . . . . 0.0 110.599 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.1 mp -132.12 117.61 15.95 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.514 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.29 143.07 76.09 Favored 'Cis proline' 0 C--N 1.35 0.645 0 C-N-CA 123.39 -1.504 . . . . 0.0 112.543 -0.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.0 133.02 36.67 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.77 2.313 . . . . 0.0 112.317 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt -101.15 103.7 15.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.166 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.662 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 81.8 m -81.42 135.03 35.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.261 0.553 . . . . 0.0 111.696 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -80.93 155.83 72.64 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.553 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.58 -27.42 76.81 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.585 2.19 . . . . 0.0 112.054 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.534 0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 179.137 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.66 0 CA-C-O 120.137 -0.257 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . 0.531 ' HD3' ' C ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -50.56 130.69 24.48 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.763 0.282 . . . . 0.0 111.753 -178.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 68.5 m -116.32 138.77 51.05 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.4 p -78.96 156.6 28.43 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.776 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.93 31.57 0.43 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -90.45 -179.77 5.67 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.631 0.253 . . . . 0.0 110.531 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -138.49 108.91 7.97 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.678 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -72.77 145.65 84.49 Favored 'Cis proline' 0 C--N 1.349 0.604 0 C-N-CA 123.29 -1.546 . . . . 0.0 112.408 -0.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.71 133.64 58.28 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.762 2.308 . . . . 0.0 112.375 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.6 mt -94.26 103.46 14.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.513 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.2 m -88.24 135.72 33.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.17 0.509 . . . . 0.0 111.51 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -83.35 157.87 64.49 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.164 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.87 -25.53 69.84 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.563 2.176 . . . . 0.0 112.137 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.202 179.357 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 114.203 0.441 . . . . 0.0 114.203 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -57.68 131.95 51.8 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 117.12 0.46 . . . . 0.0 112.109 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 63.5 m -112.17 142.93 44.03 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.373 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.1 p -65.9 153.51 41.84 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.872 0.368 . . . . 0.0 111.685 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -89.7 43.25 1.14 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.061 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.476 ' O ' ' HA ' ' A' ' 9' ' ' PRO . 55.1 p -140.71 152.55 45.4 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.783 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mp -108.57 127.6 27.13 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.87 -0.15 . . . . 0.0 111.098 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.56 135.4 39.8 Favored 'Cis proline' 0 C--N 1.352 0.757 0 C-N-CA 123.484 -1.465 . . . . 0.0 112.357 -0.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 6' ' ' SER . 21.6 Cg_exo -65.74 131.7 28.35 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.858 2.372 . . . . 0.0 112.923 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.2 mt -100.19 104.39 16.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.684 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.3 m -83.61 135.48 34.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.28 0.562 . . . . 0.0 111.58 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.77 155.31 73.3 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.383 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.0 -24.91 67.88 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.515 2.144 . . . . 0.0 111.886 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 CA--C 1.533 0.32 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.234 179.28 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.547 0 N-CA-C 113.667 0.227 . . . . 0.0 113.667 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -49.74 158.76 0.44 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 75.9 m -146.52 138.1 24.57 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.435 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.1 p -72.41 152.95 41.68 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.698 0.285 . . . . 0.0 111.188 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.435 ' C ' ' HD2' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -81.8 27.37 0.46 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -105.93 -175.2 2.73 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.596 0.236 . . . . 0.0 110.576 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.4 mt -146.35 119.7 5.14 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.864 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -68.14 137.81 41.34 Favored 'Cis proline' 0 C--N 1.351 0.663 0 C-N-CA 123.305 -1.54 . . . . 0.0 112.327 -0.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.07 134.19 38.63 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.836 2.358 . . . . 0.0 112.638 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.1 mp -94.92 104.2 15.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.59 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.8 m -87.87 137.25 32.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.211 0.529 . . . . 0.0 111.746 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -79.87 154.4 75.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.056 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.15 -24.63 59.71 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.678 2.252 . . . . 0.0 112.571 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 CA--C 1.535 0.375 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.556 179.68 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 114.086 0.394 . . . . 0.0 114.086 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -52.94 142.0 20.56 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 64.4 m -125.31 139.79 53.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.545 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 p -70.23 157.95 36.72 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.678 0.275 . . . . 0.0 111.297 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 4.2 mptp? -85.68 36.99 0.68 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.553 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -116.05 172.98 6.82 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.368 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.3 mp -133.04 119.2 15.58 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-O 120.565 0.221 . . . . 0.0 110.792 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.28 140.9 64.92 Favored 'Cis proline' 0 C--N 1.351 0.661 0 C-N-CA 123.326 -1.531 . . . . 0.0 112.441 -0.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.57 131.06 36.08 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.743 2.295 . . . . 0.0 112.573 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.0 mt -90.4 97.88 7.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.181 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 81.2 m -85.0 136.29 33.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.321 0.581 . . . . 0.0 111.913 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.22 156.75 66.3 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.226 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.86 -24.25 63.35 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.484 2.123 . . . . 0.0 112.108 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 CA--C 1.532 0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 179.396 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.491 0 CA-C-O 120.24 -0.2 . . . . 0.0 113.551 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.7 mtm-85 -50.61 129.14 22.0 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.644 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 81.3 m -114.36 138.69 50.22 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.31 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.494 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 55.9 p -72.43 155.55 40.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.535 0.207 . . . . 0.0 110.491 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -83.87 33.05 0.48 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.495 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.8 p -103.7 -174.07 2.46 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.717 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.456 HD12 ' HD3' ' A' ' 9' ' ' PRO . 44.1 mm -144.66 115.17 5.2 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.626 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.54 142.26 68.89 Favored 'Cis proline' 0 C--N 1.35 0.656 0 C-N-CA 123.303 -1.541 . . . . 0.0 112.247 -0.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.456 ' HD3' HD12 ' A' ' 7' ' ' ILE . 43.8 Cg_exo -56.68 129.98 37.5 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.726 2.284 . . . . 0.0 112.444 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.494 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 43.7 mm -87.02 89.23 3.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.361 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.644 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.5 m -79.51 135.04 36.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.339 0.59 . . . . 0.0 111.456 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -85.89 154.47 58.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.486 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.33 -25.53 65.9 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.53 2.153 . . . . 0.0 111.811 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 CA--C 1.532 0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.001 179.216 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 113.677 0.231 . . . . 0.0 113.677 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.494 ' HD3' ' C ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -49.56 125.0 10.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.748 0.309 . . . . 0.0 111.744 -179.105 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 72.5 m -113.33 137.56 51.33 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.418 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 79.7 p -74.33 155.73 37.87 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.674 0.273 . . . . 0.0 111.036 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.481 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -83.07 31.33 0.44 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.868 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -97.77 -175.95 3.32 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.615 0.245 . . . . 0.0 110.489 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.5 mt -146.92 113.78 4.25 Favored Pre-proline 0 C--O 1.233 0.213 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.745 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -68.35 139.56 50.99 Favored 'Cis proline' 0 C--N 1.35 0.641 0 C-N-CA 123.257 -1.56 . . . . 0.0 112.503 -0.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.8 135.2 65.42 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.785 2.324 . . . . 0.0 112.217 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -95.42 103.54 14.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.425 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.584 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.4 m -88.93 135.94 33.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.211 0.529 . . . . 0.0 111.705 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.93 157.93 62.58 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.211 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.04 -26.99 71.59 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.522 2.148 . . . . 0.0 112.256 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 CA--C 1.533 0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.418 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.467 0 N-CA-C 112.724 -0.15 . . . . 0.0 112.724 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.5 mtp85 -51.39 154.57 1.73 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 81.3 m -146.61 137.12 23.87 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.024 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.6 p -73.47 151.28 41.13 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.452 0.168 . . . . 0.0 110.693 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -84.42 32.95 0.5 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.675 0.274 . . . . 0.0 111.593 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.6 p -107.77 -179.01 3.78 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.413 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 mm -138.28 117.33 9.65 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 120.583 0.23 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' O ' HD12 ' A' ' 10' ' ' ILE . 59.0 Cg_endo -71.52 143.8 77.74 Favored 'Cis proline' 0 C--N 1.35 0.644 0 C-N-CA 123.346 -1.523 . . . . 0.0 112.308 -0.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -67.65 132.27 26.53 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.804 2.336 . . . . 0.0 112.548 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.412 HD12 ' O ' ' A' ' 8' ' ' PRO . 2.7 mp -93.17 103.61 14.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.114 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 77.8 m -89.61 137.98 31.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.585 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -89.28 155.55 48.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.351 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.7 -22.18 43.1 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.155 2.57 . . . . 0.0 113.596 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 CA--C 1.532 0.265 0 CA-C-O 120.491 0.186 . . . . 0.0 110.828 179.802 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 114.133 0.413 . . . . 0.0 114.133 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -54.68 160.07 1.97 Allowed 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 117.118 0.459 . . . . 0.0 112.125 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 66.3 m -140.08 139.39 35.87 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.225 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.4 p -71.88 149.37 45.23 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.673 0.273 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.45 19.75 0.59 Allowed 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.2 p -89.26 -178.88 5.75 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.565 0.222 . . . . 0.0 110.748 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.42 HD13 ' HD3' ' A' ' 9' ' ' PRO . 44.0 mm -142.71 115.52 6.18 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.723 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.53 141.66 66.15 Favored 'Cis proline' 0 C--N 1.35 0.65 0 C-N-CA 123.357 -1.518 . . . . 0.0 112.37 -0.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HD3' HD13 ' A' ' 7' ' ' ILE . 21.9 Cg_exo -64.87 138.31 57.21 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.977 2.452 . . . . 0.0 112.678 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 10' ' ' ILE . 3.2 mp -102.35 105.78 18.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 95.6 m -83.37 137.73 33.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.264 0.554 . . . . 0.0 111.889 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -79.83 151.97 74.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.98 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -59.3 -23.13 68.54 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.594 2.196 . . . . 0.0 112.152 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 CA--C 1.533 0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.473 179.573 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 113.761 0.264 . . . . 0.0 113.761 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -52.7 134.59 36.12 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 122.492 0.317 . . . . 0.0 111.37 -178.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 67.3 m -120.63 139.39 53.07 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.855 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.5 p -77.51 155.73 31.46 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.528 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -82.33 29.49 0.42 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.9 p -96.89 177.24 5.69 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.58 0.229 . . . . 0.0 110.759 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.5 mp -137.63 112.34 9.09 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.501 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -72.89 143.48 77.91 Favored 'Cis proline' 0 C--N 1.349 0.589 0 C-N-CA 123.312 -1.537 . . . . 0.0 112.352 -0.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -60.88 136.91 69.03 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.837 2.358 . . . . 0.0 112.661 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.478 ' N ' HD13 ' A' ' 10' ' ' ILE . 3.2 mp -99.24 106.9 19.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.364 -0.38 . . . . 0.0 109.993 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.523 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 79.5 m -89.68 134.99 33.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.434 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -80.86 158.16 70.79 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.319 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.22 -25.53 56.29 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.753 2.302 . . . . 0.0 112.509 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 CA--C 1.535 0.373 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.398 179.578 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.47 0 CA-C-O 120.344 -0.142 . . . . 0.0 113.204 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -54.12 132.04 42.2 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.328 0.251 . . . . 0.0 111.107 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 76.2 m -121.89 141.79 50.92 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.507 0.194 . . . . 0.0 111.137 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.0 p -82.7 165.91 19.56 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.879 0.371 . . . . 0.0 111.505 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.83 33.77 0.85 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.653 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -98.18 -176.62 3.47 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.76 0.314 . . . . 0.0 111.34 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.463 HD13 HG21 ' A' ' 7' ' ' ILE . 71.1 mt -138.81 106.25 7.51 Favored Pre-proline 0 C--O 1.233 0.235 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.832 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HA ' ' HA ' ' A' ' 7' ' ' ILE . 73.1 Cg_endo -74.77 149.32 93.7 Favored 'Cis proline' 0 C--N 1.352 0.716 0 C-N-CA 123.687 -1.381 . . . . 0.0 112.506 -0.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -57.9 132.19 48.24 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.822 2.348 . . . . 0.0 112.405 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.1 mt -88.54 102.34 12.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.379 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 80.8 m -93.05 137.32 32.51 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.547 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -87.6 165.44 30.32 Favored Pre-proline 0 C--O 1.234 0.249 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.697 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.2 -24.91 76.11 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.585 2.19 . . . . 0.0 112.522 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 179.344 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.506 0 N-CA-C 113.927 0.331 . . . . 0.0 113.927 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.9 mtp-105 -55.18 127.22 28.19 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 61.5 m -108.94 141.9 40.36 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.483 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.5 p -69.51 153.43 43.5 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.649 0.261 . . . . 0.0 111.134 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.471 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.4 35.76 0.56 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.616 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -111.16 -171.94 1.93 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.386 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.2 mt -148.97 118.44 3.99 Favored Pre-proline 0 N--CA 1.464 0.228 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.925 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -68.51 138.25 44.62 Favored 'Cis proline' 0 C--N 1.35 0.655 0 C-N-CA 123.276 -1.552 . . . . 0.0 112.344 -0.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.46 133.56 43.55 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.728 2.285 . . . . 0.0 112.532 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.448 HD12 ' N ' ' A' ' 10' ' ' ILE . 3.1 mp -95.82 104.28 15.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.4 m -84.79 134.48 34.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.254 0.55 . . . . 0.0 111.634 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -81.57 156.13 70.87 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.568 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -56.85 -26.05 64.9 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.696 2.264 . . . . 0.0 112.238 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 179.217 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.263 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -52.44 133.0 35.48 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.646 0.26 . . . . 0.0 111.544 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 62.9 m -116.83 139.77 50.22 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.561 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.5 p -70.43 152.76 43.71 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.788 0.327 . . . . 0.0 111.199 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -81.94 32.11 0.37 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.045 -179.608 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -105.28 177.37 4.87 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.708 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.4 mp -137.15 116.67 10.41 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.907 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.09 142.08 71.65 Favored 'Cis proline' 0 C--N 1.35 0.652 0 C-N-CA 123.316 -1.535 . . . . 0.0 112.322 -0.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -61.44 135.63 58.56 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.933 2.422 . . . . 0.0 112.866 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.491 ' N ' HD11 ' A' ' 10' ' ' ILE . 3.2 mp -98.68 106.21 18.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.836 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 79.0 m -87.58 136.17 33.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.26 0.552 . . . . 0.0 111.832 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -82.84 160.11 61.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.438 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.13 -22.83 66.26 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.699 2.266 . . . . 0.0 111.992 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.212 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.672 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.557 0 CA-C-O 120.301 -0.166 . . . . 0.0 113.366 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.71 121.33 3.48 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.773 0.429 . . . . 0.0 111.958 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 76.2 m -116.07 138.79 50.93 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.809 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.6 p -77.37 153.59 33.58 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.684 -0.234 . . . . 0.0 110.423 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 21.9 ttmm -83.7 35.78 0.52 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.024 0.44 . . . . 0.0 111.208 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -103.51 -176.16 3.01 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.33 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.8 mm -139.28 114.38 8.25 Favored Pre-proline 0 CA--C 1.53 0.19 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.825 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -72.87 143.72 78.62 Favored 'Cis proline' 0 C--N 1.349 0.604 0 C-N-CA 123.22 -1.575 . . . . 0.0 112.228 -0.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -56.22 126.23 21.68 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.629 2.219 . . . . 0.0 112.521 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.2 mt -84.97 102.13 10.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.368 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.6 m -90.81 137.32 32.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.556 0.693 . . . . 0.0 112.214 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.426 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 2.9 m-30 -84.43 161.83 52.95 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.257 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.4 -32.09 95.46 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.501 2.134 . . . . 0.0 112.19 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 CA--C 1.534 0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 179.648 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.634 0 N-CA-C 113.812 0.285 . . . . 0.0 113.812 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.2 mtm-85 -51.69 160.02 0.71 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.643 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 68.6 m -143.42 138.29 29.23 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.454 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.7 p -76.67 155.83 33.08 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.669 0.271 . . . . 0.0 111.214 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 14.81 1.28 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -79.98 -177.17 5.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.695 0.284 . . . . 0.0 110.772 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.9 mt -146.81 113.94 4.3 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.672 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -67.84 140.13 52.42 Favored 'Cis proline' 0 C--N 1.35 0.62 0 C-N-CA 123.279 -1.55 . . . . 0.0 112.515 -0.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -57.51 134.64 64.69 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.8 2.333 . . . . 0.0 112.378 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -95.24 103.9 15.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.253 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.643 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.7 m -86.62 137.13 32.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.2 0.524 . . . . 0.0 111.907 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -79.99 153.49 74.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.956 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.12 -23.66 62.43 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.599 2.2 . . . . 0.0 112.403 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 CA--C 1.533 0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.523 179.594 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.53 0 CA-C-O 120.391 -0.116 . . . . 0.0 113.027 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' A' ' 11' ' ' CYS . 1.3 mmp_? -49.57 152.53 1.36 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 122.883 0.473 . . . . 0.0 112.229 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 75.8 m -146.61 138.25 24.55 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.115 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.422 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 59.6 p -74.27 157.22 36.2 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.802 0.334 . . . . 0.0 111.205 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -86.27 39.61 0.83 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -124.65 -176.99 3.67 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 83.6 mt -140.77 120.52 8.6 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.056 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.27 137.29 41.97 Favored 'Cis proline' 0 C--N 1.349 0.556 0 C-N-CA 123.228 -1.572 . . . . 0.0 111.91 -0.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -62.0 127.82 22.41 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.195 1.93 . . . . 0.0 111.929 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 46.3 mm -84.88 100.04 7.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.17 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.2 m -91.91 136.66 32.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.357 0.598 . . . . 0.0 112.352 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -84.86 156.62 60.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.817 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.88 -24.58 65.2 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.885 2.39 . . . . 0.0 112.927 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 CA--C 1.535 0.368 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.036 -179.616 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 113.673 0.229 . . . . 0.0 113.673 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -52.4 127.85 23.68 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 62.3 m -110.67 143.37 41.23 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.423 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.493 HG21 ' HB ' ' A' ' 10' ' ' ILE . 62.0 p -63.08 152.02 38.31 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.762 0.315 . . . . 0.0 111.49 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -88.04 42.98 1.09 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.76 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.471 ' O ' ' HA ' ' A' ' 9' ' ' PRO . 53.2 p -144.0 152.04 40.52 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.763 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.1 mp -106.95 127.91 27.1 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.785 -0.189 . . . . 0.0 110.918 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 65.8 Cg_endo -73.58 135.01 38.02 Favored 'Cis proline' 0 C--N 1.352 0.758 0 C-N-CA 123.544 -1.44 . . . . 0.0 112.421 -0.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.471 ' HA ' ' O ' ' A' ' 6' ' ' SER . 17.0 Cg_exo -67.61 127.22 15.99 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.811 2.341 . . . . 0.0 112.88 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.493 ' HB ' HG21 ' A' ' 4' ' ' THR . 48.2 mm -93.35 103.29 14.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.784 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.619 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.1 m -82.6 135.03 35.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.312 0.577 . . . . 0.0 111.612 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -81.93 157.71 68.59 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.546 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.35 -26.91 73.1 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.673 2.249 . . . . 0.0 112.123 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.322 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.548 0 N-CA-C 113.859 0.304 . . . . 0.0 113.859 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 49.7 ttm-85 -49.4 132.56 20.46 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 64.4 m -118.25 140.02 50.44 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.131 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.1 p -78.72 157.09 28.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.909 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.492 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 2.5 mppt? -85.07 33.16 0.54 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.444 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -91.69 -171.95 3.06 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.755 0.312 . . . . 0.0 110.776 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.9 mt -144.04 107.96 4.97 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.43 145.71 84.73 Favored 'Cis proline' 0 C--N 1.348 0.543 0 C-N-CA 123.228 -1.572 . . . . 0.0 112.297 -0.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.62 131.96 46.56 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.7 2.266 . . . . 0.0 112.274 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.9 mt -94.68 104.82 16.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.361 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.3 m -87.69 136.09 33.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.739 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -80.39 157.77 72.4 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.104 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.8 -26.28 72.92 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.588 2.192 . . . . 0.0 112.119 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.193 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 113.994 0.358 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -54.5 129.36 35.75 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.645 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 61.7 m -109.57 141.45 42.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.408 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.4 p -69.24 152.65 44.79 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.685 0.278 . . . . 0.0 111.183 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -84.68 33.83 0.53 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.63 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.4 p -105.28 -177.48 3.38 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.733 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.44 HD11 ' HD3' ' A' ' 9' ' ' PRO . 42.8 mm -143.34 115.43 5.84 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.798 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.49 141.13 66.64 Favored 'Cis proline' 0 C--N 1.349 0.605 0 C-N-CA 123.377 -1.51 . . . . 0.0 112.349 -0.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.44 ' HD3' HD11 ' A' ' 7' ' ' ILE . 24.4 Cg_exo -63.56 138.96 67.6 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.964 2.442 . . . . 0.0 112.847 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.438 ' N ' HD11 ' A' ' 10' ' ' ILE . 3.3 mp -103.92 106.13 19.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.645 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 77.5 m -83.07 136.27 34.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.281 0.563 . . . . 0.0 112.006 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -80.06 155.52 74.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.388 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.0 -26.14 80.44 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.511 2.141 . . . . 0.0 111.849 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.042 179.312 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.562 0 N-CA-C 113.732 0.253 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 56.6 mtp85 -52.7 126.62 20.46 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.649 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 62.2 m -109.04 140.24 42.84 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.653 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.7 p -74.34 154.61 38.79 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.659 0.266 . . . . 0.0 111.048 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 6.5 ttpm? -83.76 33.02 0.47 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.841 0.353 . . . . 0.0 111.265 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.4 p -95.82 -178.12 4.26 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.63 179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 44.1 mm -143.2 111.32 5.52 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.701 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.46 142.85 73.27 Favored 'Cis proline' 0 C--N 1.349 0.591 0 C-N-CA 123.305 -1.54 . . . . 0.0 112.493 -0.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.38 136.95 77.78 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.835 2.357 . . . . 0.0 112.405 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.3 mt -101.2 104.96 17.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.323 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.649 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.2 m -84.66 136.03 33.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.291 0.567 . . . . 0.0 111.902 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -81.49 157.02 70.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.557 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.82 -27.02 76.56 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.647 2.231 . . . . 0.0 112.044 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.532 0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.301 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.495 0 N-CA-C 113.675 0.23 . . . . 0.0 113.675 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -54.18 122.93 11.29 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.662 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 61.3 m -105.38 139.94 39.26 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.542 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.9 p -70.36 147.62 49.38 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.561 0.219 . . . . 0.0 110.65 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -82.43 30.42 0.41 Allowed 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.6 p -104.65 176.23 5.23 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.618 0.247 . . . . 0.0 110.599 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.1 mp -132.12 117.61 15.95 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.514 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -72.29 143.07 76.09 Favored 'Cis proline' 0 C--N 1.35 0.645 0 C-N-CA 123.39 -1.504 . . . . 0.0 112.543 -0.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -64.0 133.02 36.67 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.77 2.313 . . . . 0.0 112.317 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt -101.15 103.7 15.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.166 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.662 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 81.8 m -81.42 135.03 35.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.261 0.553 . . . . 0.0 111.696 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -80.93 155.83 72.64 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.553 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.58 -27.42 76.81 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.585 2.19 . . . . 0.0 112.054 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.534 0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 179.137 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.66 0 CA-C-O 120.137 -0.257 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.531 ' HD3' ' C ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -50.56 130.69 24.48 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.763 0.282 . . . . 0.0 111.753 -178.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 68.5 m -116.32 138.77 51.05 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.4 p -78.96 156.6 28.43 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.776 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.93 31.57 0.43 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -90.45 -179.77 5.67 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.631 0.253 . . . . 0.0 110.531 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.6 mp -138.49 108.91 7.97 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.678 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -72.77 145.65 84.49 Favored 'Cis proline' 0 C--N 1.349 0.604 0 C-N-CA 123.29 -1.546 . . . . 0.0 112.408 -0.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.71 133.64 58.28 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.762 2.308 . . . . 0.0 112.375 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.6 mt -94.26 103.46 14.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.513 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.2 m -88.24 135.72 33.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.17 0.509 . . . . 0.0 111.51 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -83.35 157.87 64.49 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.164 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.87 -25.53 69.84 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.563 2.176 . . . . 0.0 112.137 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.202 179.357 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 114.203 0.441 . . . . 0.0 114.203 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -57.68 131.95 51.8 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 117.12 0.46 . . . . 0.0 112.109 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 63.5 m -112.17 142.93 44.03 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.373 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.1 p -65.9 153.51 41.84 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.872 0.368 . . . . 0.0 111.685 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -89.7 43.25 1.14 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.061 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.476 ' O ' ' HA ' ' A' ' 9' ' ' PRO . 55.1 p -140.71 152.55 45.4 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.783 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.3 mp -108.57 127.6 27.13 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.87 -0.15 . . . . 0.0 111.098 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -73.56 135.4 39.8 Favored 'Cis proline' 0 C--N 1.352 0.757 0 C-N-CA 123.484 -1.465 . . . . 0.0 112.357 -0.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 6' ' ' SER . 21.6 Cg_exo -65.74 131.7 28.35 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.858 2.372 . . . . 0.0 112.923 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.2 mt -100.19 104.39 16.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.684 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.3 m -83.61 135.48 34.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.28 0.562 . . . . 0.0 111.58 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.77 155.31 73.3 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.383 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.0 -24.91 67.88 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.515 2.144 . . . . 0.0 111.886 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 CA--C 1.533 0.32 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.234 179.28 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.547 0 N-CA-C 113.667 0.227 . . . . 0.0 113.667 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -49.74 158.76 0.44 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 75.9 m -146.52 138.1 24.57 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.435 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.1 p -72.41 152.95 41.68 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.698 0.285 . . . . 0.0 111.188 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.453 ' C ' ' HD2' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -81.8 27.37 0.46 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -105.93 -175.2 2.73 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.596 0.236 . . . . 0.0 110.576 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.4 mt -146.35 119.7 5.14 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.864 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 47.8 Cg_endo -68.14 137.81 41.34 Favored 'Cis proline' 0 C--N 1.351 0.663 0 C-N-CA 123.305 -1.54 . . . . 0.0 112.327 -0.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 20.5 Cg_exo -65.07 134.19 38.63 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.836 2.358 . . . . 0.0 112.638 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.583 HD12 ' N ' ' A' ' 10' ' ' ILE . 3.1 mp -94.92 104.2 15.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.8 m -87.87 137.25 32.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.211 0.529 . . . . 0.0 111.746 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -79.87 154.4 75.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.056 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.15 -24.63 59.71 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.678 2.252 . . . . 0.0 112.571 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 CA--C 1.535 0.375 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.556 179.68 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 114.086 0.394 . . . . 0.0 114.086 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -52.94 142.0 20.56 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 64.4 m -125.31 139.79 53.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.545 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 p -70.23 157.95 36.72 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.678 0.275 . . . . 0.0 111.297 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.448 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 4.2 mptp? -85.68 36.99 0.68 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.553 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.7 ' C ' HD12 ' A' ' 7' ' ' ILE . 88.0 p -116.05 172.98 6.82 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.368 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.7 HD12 ' C ' ' A' ' 6' ' ' SER . 3.3 mp -133.04 119.2 15.58 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-O 120.565 0.221 . . . . 0.0 110.792 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.28 140.9 64.92 Favored 'Cis proline' 0 C--N 1.351 0.661 0 C-N-CA 123.326 -1.531 . . . . 0.0 112.441 -0.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.57 131.06 36.08 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.743 2.295 . . . . 0.0 112.573 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.0 mt -90.4 97.88 7.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.181 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 81.2 m -85.0 136.29 33.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.321 0.581 . . . . 0.0 111.913 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.22 156.75 66.3 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.226 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.86 -24.25 63.35 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.484 2.123 . . . . 0.0 112.108 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 CA--C 1.532 0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 179.396 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.491 0 CA-C-O 120.24 -0.2 . . . . 0.0 113.551 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.7 mtm-85 -50.61 129.14 22.0 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.667 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 81.3 m -114.36 138.69 50.22 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.31 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.508 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 55.9 p -72.43 155.55 40.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.535 0.207 . . . . 0.0 110.491 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -83.87 33.05 0.48 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.495 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.467 ' O ' HD13 ' A' ' 7' ' ' ILE . 95.8 p -103.7 -174.07 2.46 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.717 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 6' ' ' SER . 44.1 mm -144.66 115.17 5.2 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.626 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 55.5 Cg_endo -69.54 142.26 68.89 Favored 'Cis proline' 0 C--N 1.35 0.656 0 C-N-CA 123.303 -1.541 . . . . 0.0 112.247 -0.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 43.8 Cg_exo -56.68 129.98 37.5 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.726 2.284 . . . . 0.0 112.444 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.508 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 43.7 mm -87.02 89.23 3.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.361 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.667 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.5 m -79.51 135.04 36.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.339 0.59 . . . . 0.0 111.456 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -85.89 154.47 58.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.486 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.33 -25.53 65.9 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.53 2.153 . . . . 0.0 111.811 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 CA--C 1.532 0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.001 179.216 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 113.677 0.231 . . . . 0.0 113.677 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.507 ' HD3' ' C ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -49.56 125.0 10.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.748 0.309 . . . . 0.0 111.744 -179.105 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 72.5 m -113.33 137.56 51.33 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.418 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 79.7 p -74.33 155.73 37.87 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.674 0.273 . . . . 0.0 111.036 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.487 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -83.07 31.33 0.44 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.868 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -97.77 -175.95 3.32 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.615 0.245 . . . . 0.0 110.489 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.5 mt -146.92 113.78 4.25 Favored Pre-proline 0 C--O 1.233 0.213 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.745 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 50.9 Cg_endo -68.35 139.56 50.99 Favored 'Cis proline' 0 C--N 1.35 0.641 0 C-N-CA 123.257 -1.56 . . . . 0.0 112.503 -0.347 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 33.7 Cg_exo -58.8 135.2 65.42 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.785 2.324 . . . . 0.0 112.217 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -95.42 103.54 14.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.425 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.4 m -88.93 135.94 33.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.211 0.529 . . . . 0.0 111.705 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.93 157.93 62.58 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.211 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.04 -26.99 71.59 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.522 2.148 . . . . 0.0 112.256 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 CA--C 1.533 0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.418 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.467 0 N-CA-C 112.724 -0.15 . . . . 0.0 112.724 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.5 mtp85 -51.39 154.57 1.73 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 81.3 m -146.61 137.12 23.87 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.024 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.6 p -73.47 151.28 41.13 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.452 0.168 . . . . 0.0 110.693 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -84.42 32.95 0.5 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.675 0.274 . . . . 0.0 111.593 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.6 p -107.77 -179.01 3.78 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.413 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 mm -138.28 117.33 9.65 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 120.583 0.23 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.483 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 59.0 Cg_endo -71.52 143.8 77.74 Favored 'Cis proline' 0 C--N 1.35 0.644 0 C-N-CA 123.346 -1.523 . . . . 0.0 112.308 -0.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 14.3 Cg_exo -67.65 132.27 26.53 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.804 2.336 . . . . 0.0 112.548 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.565 HD12 ' N ' ' A' ' 10' ' ' ILE . 2.7 mp -93.17 103.61 14.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.114 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 77.8 m -89.61 137.98 31.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.585 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -89.28 155.55 48.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.351 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.7 -22.18 43.1 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.155 2.57 . . . . 0.0 113.596 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 CA--C 1.532 0.265 0 CA-C-O 120.491 0.186 . . . . 0.0 110.828 179.802 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 114.133 0.413 . . . . 0.0 114.133 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -54.68 160.07 1.97 Allowed 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 117.118 0.459 . . . . 0.0 112.125 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 66.3 m -140.08 139.39 35.87 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.225 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.4 p -71.88 149.37 45.23 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.673 0.273 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.412 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -79.45 19.75 0.59 Allowed 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.644 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' HD13 ' A' ' 7' ' ' ILE . 85.2 p -89.26 -178.88 5.75 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.565 0.222 . . . . 0.0 110.748 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.427 HD13 ' O ' ' A' ' 6' ' ' SER . 44.0 mm -142.71 115.52 6.18 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.723 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 55.6 Cg_endo -69.53 141.66 66.15 Favored 'Cis proline' 0 C--N 1.35 0.65 0 C-N-CA 123.357 -1.518 . . . . 0.0 112.37 -0.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 21.9 Cg_exo -64.87 138.31 57.21 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.977 2.452 . . . . 0.0 112.678 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 10' ' ' ILE . 3.2 mp -102.35 105.78 18.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 95.6 m -83.37 137.73 33.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.264 0.554 . . . . 0.0 111.889 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -79.83 151.97 74.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.98 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -59.3 -23.13 68.54 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.594 2.196 . . . . 0.0 112.152 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 CA--C 1.533 0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.473 179.573 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 113.761 0.264 . . . . 0.0 113.761 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.536 ' HD3' ' N ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -52.7 134.59 36.12 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 122.492 0.317 . . . . 0.0 111.37 -178.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 67.3 m -120.63 139.39 53.07 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.855 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.5 p -77.51 155.73 31.46 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.528 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -82.33 29.49 0.42 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.726 ' C ' HD12 ' A' ' 7' ' ' ILE . 85.9 p -96.89 177.24 5.69 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.58 0.229 . . . . 0.0 110.759 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.726 HD12 ' C ' ' A' ' 6' ' ' SER . 3.5 mp -137.63 112.34 9.09 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.501 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 63.4 Cg_endo -72.89 143.48 77.91 Favored 'Cis proline' 0 C--N 1.349 0.589 0 C-N-CA 123.312 -1.537 . . . . 0.0 112.352 -0.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 33.5 Cg_exo -60.88 136.91 69.03 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.837 2.358 . . . . 0.0 112.661 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.507 HD12 ' N ' ' A' ' 10' ' ' ILE . 3.2 mp -99.24 106.9 19.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.364 -0.38 . . . . 0.0 109.993 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 79.5 m -89.68 134.99 33.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.434 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -80.86 158.16 70.79 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.319 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.22 -25.53 56.29 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.753 2.302 . . . . 0.0 112.509 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 CA--C 1.535 0.373 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.398 179.578 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.47 0 CA-C-O 120.344 -0.142 . . . . 0.0 113.204 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -54.12 132.04 42.2 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.328 0.251 . . . . 0.0 111.107 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 76.2 m -121.89 141.79 50.92 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.507 0.194 . . . . 0.0 111.137 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.0 p -82.7 165.91 19.56 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.879 0.371 . . . . 0.0 111.505 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.83 33.77 0.85 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.653 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -98.18 -176.62 3.47 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.76 0.314 . . . . 0.0 111.34 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.468 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 71.1 mt -138.81 106.25 7.51 Favored Pre-proline 0 C--O 1.233 0.235 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.832 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' ILE . 73.1 Cg_endo -74.77 149.32 93.7 Favored 'Cis proline' 0 C--N 1.352 0.716 0 C-N-CA 123.687 -1.381 . . . . 0.0 112.506 -0.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 32.4 Cg_exo -57.9 132.19 48.24 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.822 2.348 . . . . 0.0 112.405 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.1 mt -88.54 102.34 12.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.379 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 80.8 m -93.05 137.32 32.51 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.547 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -87.6 165.44 30.32 Favored Pre-proline 0 C--O 1.234 0.249 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.697 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.2 -24.91 76.11 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.585 2.19 . . . . 0.0 112.522 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 179.344 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.506 0 N-CA-C 113.927 0.331 . . . . 0.0 113.927 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 2' ' ' ARG . 11.9 mtp-105 -55.18 127.22 28.19 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.644 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 61.5 m -108.94 141.9 40.36 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.483 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.5 p -69.51 153.43 43.5 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.649 0.261 . . . . 0.0 111.134 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.566 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.4 35.76 0.56 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.616 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -111.16 -171.94 1.93 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.386 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.2 mt -148.97 118.44 3.99 Favored Pre-proline 0 N--CA 1.464 0.228 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.925 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -68.51 138.25 44.62 Favored 'Cis proline' 0 C--N 1.35 0.655 0 C-N-CA 123.276 -1.552 . . . . 0.0 112.344 -0.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.46 133.56 43.55 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.728 2.285 . . . . 0.0 112.532 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.59 HD12 ' N ' ' A' ' 10' ' ' ILE . 3.1 mp -95.82 104.28 15.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.644 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.4 m -84.79 134.48 34.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.254 0.55 . . . . 0.0 111.634 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -81.57 156.13 70.87 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.568 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -56.85 -26.05 64.9 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.696 2.264 . . . . 0.0 112.238 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 179.217 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.263 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -52.44 133.0 35.48 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.646 0.26 . . . . 0.0 111.544 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 62.9 m -116.83 139.77 50.22 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.561 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.425 HG23 ' HE1' ' A' ' 12' ' ' PHE . 64.5 p -70.43 152.76 43.71 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.788 0.327 . . . . 0.0 111.199 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.449 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -81.94 32.11 0.37 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.045 -179.608 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.754 ' C ' HD12 ' A' ' 7' ' ' ILE . 87.1 p -105.28 177.37 4.87 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.708 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.754 HD12 ' C ' ' A' ' 6' ' ' SER . 3.4 mp -137.15 116.67 10.41 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.907 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 58.4 Cg_endo -71.09 142.08 71.65 Favored 'Cis proline' 0 C--N 1.35 0.652 0 C-N-CA 123.316 -1.535 . . . . 0.0 112.322 -0.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 35.8 Cg_exo -61.44 135.63 58.56 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.933 2.422 . . . . 0.0 112.866 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.496 HD12 ' N ' ' A' ' 10' ' ' ILE . 3.2 mp -98.68 106.21 18.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.836 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 79.0 m -87.58 136.17 33.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.26 0.552 . . . . 0.0 111.832 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.425 ' HE1' HG23 ' A' ' 4' ' ' THR . 1.8 m-85 -82.84 160.11 61.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.438 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.13 -22.83 66.26 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.699 2.266 . . . . 0.0 111.992 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.212 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.672 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.557 0 CA-C-O 120.301 -0.166 . . . . 0.0 113.366 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.71 121.33 3.48 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.773 0.429 . . . . 0.0 111.958 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.581 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 76.2 m -116.07 138.79 50.93 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.809 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.6 p -77.37 153.59 33.58 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.684 -0.234 . . . . 0.0 110.423 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 21.9 ttmm -83.7 35.78 0.52 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.024 0.44 . . . . 0.0 111.208 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -103.51 -176.16 3.01 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.33 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.8 mm -139.28 114.38 8.25 Favored Pre-proline 0 CA--C 1.53 0.19 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.825 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 65.7 Cg_endo -72.87 143.72 78.62 Favored 'Cis proline' 0 C--N 1.349 0.604 0 C-N-CA 123.22 -1.575 . . . . 0.0 112.228 -0.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 42.5 Cg_exo -56.22 126.23 21.68 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.629 2.219 . . . . 0.0 112.521 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.2 mt -84.97 102.13 10.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.368 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.581 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.6 m -90.81 137.32 32.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.556 0.693 . . . . 0.0 112.214 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.426 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 2.9 m-30 -84.43 161.83 52.95 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.257 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.4 -32.09 95.46 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.501 2.134 . . . . 0.0 112.19 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 CA--C 1.534 0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 179.648 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.634 0 N-CA-C 113.812 0.285 . . . . 0.0 113.812 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.2 mtm-85 -51.69 160.02 0.71 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 68.6 m -143.42 138.29 29.23 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.454 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.7 p -76.67 155.83 33.08 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.669 0.271 . . . . 0.0 111.214 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 14.81 1.28 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -79.98 -177.17 5.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.695 0.284 . . . . 0.0 110.772 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.9 mt -146.81 113.94 4.3 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.672 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 46.0 Cg_endo -67.84 140.13 52.42 Favored 'Cis proline' 0 C--N 1.35 0.62 0 C-N-CA 123.279 -1.55 . . . . 0.0 112.515 -0.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 34.4 Cg_exo -57.51 134.64 64.69 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.8 2.333 . . . . 0.0 112.378 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -95.24 103.9 15.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.253 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.7 m -86.62 137.13 32.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.2 0.524 . . . . 0.0 111.907 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -79.99 153.49 74.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.956 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.12 -23.66 62.43 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.599 2.2 . . . . 0.0 112.403 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 CA--C 1.533 0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.523 179.594 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.53 0 CA-C-O 120.391 -0.116 . . . . 0.0 113.027 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -49.57 152.53 1.36 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 122.883 0.473 . . . . 0.0 112.229 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 75.8 m -146.61 138.25 24.55 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.115 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.435 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 59.6 p -74.27 157.22 36.2 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.802 0.334 . . . . 0.0 111.205 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -86.27 39.61 0.83 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -124.65 -176.99 3.67 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 83.6 mt -140.77 120.52 8.6 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.056 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 55.6 Cg_endo -69.27 137.29 41.97 Favored 'Cis proline' 0 C--N 1.349 0.556 0 C-N-CA 123.228 -1.572 . . . . 0.0 111.91 -0.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 23.3 Cg_exo -62.0 127.82 22.41 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.195 1.93 . . . . 0.0 111.929 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.435 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 46.3 mm -84.88 100.04 7.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.17 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.2 m -91.91 136.66 32.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.357 0.598 . . . . 0.0 112.352 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -84.86 156.62 60.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.817 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.88 -24.58 65.2 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.885 2.39 . . . . 0.0 112.927 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 CA--C 1.535 0.368 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.036 -179.616 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 113.673 0.229 . . . . 0.0 113.673 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -52.4 127.85 23.68 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 62.3 m -110.67 143.37 41.23 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.423 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 10' ' ' ILE . 62.0 p -63.08 152.02 38.31 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.762 0.315 . . . . 0.0 111.49 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -88.04 42.98 1.09 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.76 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' PRO . 53.2 p -144.0 152.04 40.52 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.763 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.605 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.1 mp -106.95 127.91 27.1 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.785 -0.189 . . . . 0.0 110.918 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.462 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 65.8 Cg_endo -73.58 135.01 38.02 Favored 'Cis proline' 0 C--N 1.352 0.758 0 C-N-CA 123.544 -1.44 . . . . 0.0 112.421 -0.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 17.0 Cg_exo -67.61 127.22 15.99 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.811 2.341 . . . . 0.0 112.88 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 4' ' ' THR . 48.2 mm -93.35 103.29 14.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.784 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.1 m -82.6 135.03 35.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.312 0.577 . . . . 0.0 111.612 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -81.93 157.71 68.59 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.546 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.35 -26.91 73.1 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.673 2.249 . . . . 0.0 112.123 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.322 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.548 0 N-CA-C 113.859 0.304 . . . . 0.0 113.859 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 49.7 ttm-85 -49.4 132.56 20.46 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 64.4 m -118.25 140.02 50.44 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.131 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.1 p -78.72 157.09 28.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.909 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.482 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 2.5 mppt? -85.07 33.16 0.54 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.444 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -91.69 -171.95 3.06 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.755 0.312 . . . . 0.0 110.776 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.9 mt -144.04 107.96 4.97 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 73.7 Cg_endo -74.43 145.71 84.73 Favored 'Cis proline' 0 C--N 1.348 0.543 0 C-N-CA 123.228 -1.572 . . . . 0.0 112.297 -0.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 50.4 Cg_exo -53.62 131.96 46.56 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.7 2.266 . . . . 0.0 112.274 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.9 mt -94.68 104.82 16.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.361 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.3 m -87.69 136.09 33.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.739 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -80.39 157.77 72.4 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.104 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.8 -26.28 72.92 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.588 2.192 . . . . 0.0 112.119 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.193 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 113.994 0.358 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -54.5 129.36 35.75 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 61.7 m -109.57 141.45 42.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.408 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.4 p -69.24 152.65 44.79 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.685 0.278 . . . . 0.0 111.183 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -84.68 33.83 0.53 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.63 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.431 ' O ' HD13 ' A' ' 7' ' ' ILE . 87.4 p -105.28 -177.48 3.38 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.733 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.431 HD13 ' O ' ' A' ' 6' ' ' SER . 42.8 mm -143.34 115.43 5.84 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.798 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 57.3 Cg_endo -70.49 141.13 66.64 Favored 'Cis proline' 0 C--N 1.349 0.605 0 C-N-CA 123.377 -1.51 . . . . 0.0 112.349 -0.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 24.4 Cg_exo -63.56 138.96 67.6 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.964 2.442 . . . . 0.0 112.847 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.557 HD12 ' N ' ' A' ' 10' ' ' ILE . 3.3 mp -103.92 106.13 19.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 77.5 m -83.07 136.27 34.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.281 0.563 . . . . 0.0 112.006 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -80.06 155.52 74.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.388 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.0 -26.14 80.44 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.511 2.141 . . . . 0.0 111.849 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.042 179.312 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.562 0 N-CA-C 113.732 0.253 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 56.6 mtp85 -52.7 126.62 20.46 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 62.2 m -109.04 140.24 42.84 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.653 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.403 HG23 ' HE1' ' A' ' 12' ' ' PHE . 71.7 p -74.34 154.61 38.79 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.659 0.266 . . . . 0.0 111.048 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.439 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 6.5 ttpm? -83.76 33.02 0.47 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.841 0.353 . . . . 0.0 111.265 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.437 ' O ' HD13 ' A' ' 7' ' ' ILE . 87.4 p -95.82 -178.12 4.26 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.63 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.437 HD13 ' O ' ' A' ' 6' ' ' SER . 44.1 mm -143.2 111.32 5.52 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.701 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 57.3 Cg_endo -70.46 142.85 73.27 Favored 'Cis proline' 0 C--N 1.349 0.591 0 C-N-CA 123.305 -1.54 . . . . 0.0 112.493 -0.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 31.7 Cg_exo -58.38 136.95 77.78 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.835 2.357 . . . . 0.0 112.405 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.3 mt -101.2 104.96 17.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.323 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.2 m -84.66 136.03 33.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.291 0.567 . . . . 0.0 111.902 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.403 ' HE1' HG23 ' A' ' 4' ' ' THR . 2.4 m-85 -81.49 157.02 70.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.557 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.82 -27.02 76.56 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.647 2.231 . . . . 0.0 112.044 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.532 0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.301 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.495 0 N-CA-C 113.675 0.23 . . . . 0.0 113.675 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -54.18 122.93 11.29 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.683 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 61.3 m -105.38 139.94 39.26 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.542 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.9 p -70.36 147.62 49.38 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.561 0.219 . . . . 0.0 110.65 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -82.43 30.42 0.41 Allowed 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.708 ' C ' HD12 ' A' ' 7' ' ' ILE . 84.6 p -104.65 176.23 5.23 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.618 0.247 . . . . 0.0 110.599 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.708 HD12 ' C ' ' A' ' 6' ' ' SER . 3.1 mp -132.12 117.61 15.95 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.514 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 61.2 Cg_endo -72.29 143.07 76.09 Favored 'Cis proline' 0 C--N 1.35 0.645 0 C-N-CA 123.39 -1.504 . . . . 0.0 112.543 -0.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 21.7 Cg_exo -64.0 133.02 36.67 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.77 2.313 . . . . 0.0 112.317 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt -101.15 103.7 15.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.166 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.683 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 81.8 m -81.42 135.03 35.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.261 0.553 . . . . 0.0 111.696 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -80.93 155.83 72.64 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.553 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.58 -27.42 76.81 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.585 2.19 . . . . 0.0 112.054 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.534 0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 179.137 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.66 0 CA-C-O 120.137 -0.257 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ARG . . . . . 0.543 ' HD3' ' C ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -50.56 130.69 24.48 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.763 0.282 . . . . 0.0 111.753 -178.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 68.5 m -116.32 138.77 51.05 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.4 p -78.96 156.6 28.43 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.776 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.93 31.57 0.43 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.738 ' C ' HD12 ' A' ' 7' ' ' ILE . 81.6 p -90.45 -179.77 5.67 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.631 0.253 . . . . 0.0 110.531 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.738 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -138.49 108.91 7.97 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.678 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 62.9 Cg_endo -72.77 145.65 84.49 Favored 'Cis proline' 0 C--N 1.349 0.604 0 C-N-CA 123.29 -1.546 . . . . 0.0 112.408 -0.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 52.4 Cg_exo -54.71 133.64 58.28 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.762 2.308 . . . . 0.0 112.375 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.6 mt -94.26 103.46 14.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.513 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.2 m -88.24 135.72 33.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.17 0.509 . . . . 0.0 111.51 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -83.35 157.87 64.49 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.164 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.87 -25.53 69.84 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.563 2.176 . . . . 0.0 112.137 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.202 179.357 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 114.203 0.441 . . . . 0.0 114.203 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -57.68 131.95 51.8 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 117.12 0.46 . . . . 0.0 112.109 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 63.5 m -112.17 142.93 44.03 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.373 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.1 p -65.9 153.51 41.84 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.872 0.368 . . . . 0.0 111.685 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -89.7 43.25 1.14 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.061 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 9' ' ' PRO . 55.1 p -140.71 152.55 45.4 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.783 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.61 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.3 mp -108.57 127.6 27.13 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.87 -0.15 . . . . 0.0 111.098 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 65.6 Cg_endo -73.56 135.4 39.8 Favored 'Cis proline' 0 C--N 1.352 0.757 0 C-N-CA 123.484 -1.465 . . . . 0.0 112.357 -0.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 6' ' ' SER . 21.6 Cg_exo -65.74 131.7 28.35 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.858 2.372 . . . . 0.0 112.923 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.2 mt -100.19 104.39 16.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.684 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.3 m -83.61 135.48 34.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.28 0.562 . . . . 0.0 111.58 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.77 155.31 73.3 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.383 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.0 -24.91 67.88 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.515 2.144 . . . . 0.0 111.886 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 CA--C 1.533 0.32 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.234 179.28 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.547 0 N-CA-C 113.667 0.227 . . . . 0.0 113.667 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -49.74 158.76 0.44 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 75.9 m -146.52 138.1 24.57 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.435 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.1 p -72.41 152.95 41.68 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.698 0.285 . . . . 0.0 111.188 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.453 ' C ' ' HD2' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -81.8 27.37 0.46 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -105.93 -175.2 2.73 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.596 0.236 . . . . 0.0 110.576 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.4 mt -146.35 119.7 5.14 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.864 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 47.8 Cg_endo -68.14 137.81 41.34 Favored 'Cis proline' 0 C--N 1.351 0.663 0 C-N-CA 123.305 -1.54 . . . . 0.0 112.327 -0.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 20.5 Cg_exo -65.07 134.19 38.63 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.836 2.358 . . . . 0.0 112.638 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.583 HD12 ' N ' ' A' ' 10' ' ' ILE . 3.1 mp -94.92 104.2 15.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.8 m -87.87 137.25 32.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.211 0.529 . . . . 0.0 111.746 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -79.87 154.4 75.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.056 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.15 -24.63 59.71 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.678 2.252 . . . . 0.0 112.571 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 CA--C 1.535 0.375 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.556 179.68 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 114.086 0.394 . . . . 0.0 114.086 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -52.94 142.0 20.56 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 64.4 m -125.31 139.79 53.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.545 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 p -70.23 157.95 36.72 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.678 0.275 . . . . 0.0 111.297 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 4.2 mptp? -85.68 36.99 0.68 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.553 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.7 ' C ' HD12 ' A' ' 7' ' ' ILE . 88.0 p -116.05 172.98 6.82 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.368 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.7 HD12 ' C ' ' A' ' 6' ' ' SER . 3.3 mp -133.04 119.2 15.58 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-O 120.565 0.221 . . . . 0.0 110.792 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.28 140.9 64.92 Favored 'Cis proline' 0 C--N 1.351 0.661 0 C-N-CA 123.326 -1.531 . . . . 0.0 112.441 -0.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.57 131.06 36.08 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.743 2.295 . . . . 0.0 112.573 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.0 mt -90.4 97.88 7.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.181 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 81.2 m -85.0 136.29 33.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.321 0.581 . . . . 0.0 111.913 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.22 156.75 66.3 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.226 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.86 -24.25 63.35 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.484 2.123 . . . . 0.0 112.108 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 CA--C 1.532 0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 179.396 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.491 0 CA-C-O 120.24 -0.2 . . . . 0.0 113.551 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.7 mtm-85 -50.61 129.14 22.0 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.667 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 81.3 m -114.36 138.69 50.22 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.31 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.508 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 55.9 p -72.43 155.55 40.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.535 0.207 . . . . 0.0 110.491 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -83.87 33.05 0.48 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.495 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.467 ' O ' HD13 ' A' ' 7' ' ' ILE . 95.8 p -103.7 -174.07 2.46 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.717 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 6' ' ' SER . 44.1 mm -144.66 115.17 5.2 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.626 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 55.5 Cg_endo -69.54 142.26 68.89 Favored 'Cis proline' 0 C--N 1.35 0.656 0 C-N-CA 123.303 -1.541 . . . . 0.0 112.247 -0.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 43.8 Cg_exo -56.68 129.98 37.5 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.726 2.284 . . . . 0.0 112.444 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.508 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 43.7 mm -87.02 89.23 3.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.361 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.667 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.5 m -79.51 135.04 36.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.339 0.59 . . . . 0.0 111.456 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -85.89 154.47 58.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.486 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.33 -25.53 65.9 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.53 2.153 . . . . 0.0 111.811 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 CA--C 1.532 0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.001 179.216 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 113.677 0.231 . . . . 0.0 113.677 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.507 ' HD3' ' C ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -49.56 125.0 10.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.748 0.309 . . . . 0.0 111.744 -179.105 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 72.5 m -113.33 137.56 51.33 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.418 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 79.7 p -74.33 155.73 37.87 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.674 0.273 . . . . 0.0 111.036 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.487 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -83.07 31.33 0.44 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.868 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -97.77 -175.95 3.32 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.615 0.245 . . . . 0.0 110.489 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.5 mt -146.92 113.78 4.25 Favored Pre-proline 0 C--O 1.233 0.213 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.745 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 50.9 Cg_endo -68.35 139.56 50.99 Favored 'Cis proline' 0 C--N 1.35 0.641 0 C-N-CA 123.257 -1.56 . . . . 0.0 112.503 -0.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 33.7 Cg_exo -58.8 135.2 65.42 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.785 2.324 . . . . 0.0 112.217 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -95.42 103.54 14.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.425 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.4 m -88.93 135.94 33.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.211 0.529 . . . . 0.0 111.705 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.93 157.93 62.58 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.211 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.04 -26.99 71.59 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.522 2.148 . . . . 0.0 112.256 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 CA--C 1.533 0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.418 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.467 0 N-CA-C 112.724 -0.15 . . . . 0.0 112.724 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.5 mtp85 -51.39 154.57 1.73 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 81.3 m -146.61 137.12 23.87 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.024 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.6 p -73.47 151.28 41.13 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.452 0.168 . . . . 0.0 110.693 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -84.42 32.95 0.5 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.675 0.274 . . . . 0.0 111.593 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.6 p -107.77 -179.01 3.78 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.413 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 mm -138.28 117.33 9.65 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 120.583 0.23 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.483 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 59.0 Cg_endo -71.52 143.8 77.74 Favored 'Cis proline' 0 C--N 1.35 0.644 0 C-N-CA 123.346 -1.523 . . . . 0.0 112.308 -0.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 14.3 Cg_exo -67.65 132.27 26.53 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.804 2.336 . . . . 0.0 112.548 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.565 HD12 ' N ' ' A' ' 10' ' ' ILE . 2.7 mp -93.17 103.61 14.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.114 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 77.8 m -89.61 137.98 31.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.585 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -89.28 155.55 48.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.351 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.7 -22.18 43.1 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.155 2.57 . . . . 0.0 113.596 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 CA--C 1.532 0.265 0 CA-C-O 120.491 0.186 . . . . 0.0 110.828 179.802 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 114.133 0.413 . . . . 0.0 114.133 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -54.68 160.07 1.97 Allowed 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 117.118 0.459 . . . . 0.0 112.125 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 66.3 m -140.08 139.39 35.87 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.225 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.4 p -71.88 149.37 45.23 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.673 0.273 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.412 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -79.45 19.75 0.59 Allowed 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.644 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' HD13 ' A' ' 7' ' ' ILE . 85.2 p -89.26 -178.88 5.75 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.565 0.222 . . . . 0.0 110.748 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.427 HD13 ' O ' ' A' ' 6' ' ' SER . 44.0 mm -142.71 115.52 6.18 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.723 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 55.6 Cg_endo -69.53 141.66 66.15 Favored 'Cis proline' 0 C--N 1.35 0.65 0 C-N-CA 123.357 -1.518 . . . . 0.0 112.37 -0.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 21.9 Cg_exo -64.87 138.31 57.21 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.977 2.452 . . . . 0.0 112.678 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.563 HD12 ' N ' ' A' ' 10' ' ' ILE . 3.2 mp -102.35 105.78 18.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 95.6 m -83.37 137.73 33.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.264 0.554 . . . . 0.0 111.889 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -79.83 151.97 74.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.98 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -59.3 -23.13 68.54 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.594 2.196 . . . . 0.0 112.152 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 CA--C 1.533 0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.473 179.573 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 113.761 0.264 . . . . 0.0 113.761 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.536 ' HD3' ' N ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -52.7 134.59 36.12 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 122.492 0.317 . . . . 0.0 111.37 -178.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 67.3 m -120.63 139.39 53.07 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.855 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.5 p -77.51 155.73 31.46 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.528 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -82.33 29.49 0.42 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.726 ' C ' HD12 ' A' ' 7' ' ' ILE . 85.9 p -96.89 177.24 5.69 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.58 0.229 . . . . 0.0 110.759 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.726 HD12 ' C ' ' A' ' 6' ' ' SER . 3.5 mp -137.63 112.34 9.09 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.501 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 63.4 Cg_endo -72.89 143.48 77.91 Favored 'Cis proline' 0 C--N 1.349 0.589 0 C-N-CA 123.312 -1.537 . . . . 0.0 112.352 -0.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 33.5 Cg_exo -60.88 136.91 69.03 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.837 2.358 . . . . 0.0 112.661 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.507 HD12 ' N ' ' A' ' 10' ' ' ILE . 3.2 mp -99.24 106.9 19.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.364 -0.38 . . . . 0.0 109.993 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 79.5 m -89.68 134.99 33.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.434 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -80.86 158.16 70.79 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.319 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.22 -25.53 56.29 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.753 2.302 . . . . 0.0 112.509 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 CA--C 1.535 0.373 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.398 179.578 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.47 0 CA-C-O 120.344 -0.142 . . . . 0.0 113.204 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -54.12 132.04 42.2 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.328 0.251 . . . . 0.0 111.107 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 76.2 m -121.89 141.79 50.92 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.507 0.194 . . . . 0.0 111.137 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.0 p -82.7 165.91 19.56 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.879 0.371 . . . . 0.0 111.505 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.83 33.77 0.85 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.653 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -98.18 -176.62 3.47 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.76 0.314 . . . . 0.0 111.34 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.468 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 71.1 mt -138.81 106.25 7.51 Favored Pre-proline 0 C--O 1.233 0.235 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.832 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' ILE . 73.1 Cg_endo -74.77 149.32 93.7 Favored 'Cis proline' 0 C--N 1.352 0.716 0 C-N-CA 123.687 -1.381 . . . . 0.0 112.506 -0.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 32.4 Cg_exo -57.9 132.19 48.24 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.822 2.348 . . . . 0.0 112.405 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.1 mt -88.54 102.34 12.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.379 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 80.8 m -93.05 137.32 32.51 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.547 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -87.6 165.44 30.32 Favored Pre-proline 0 C--O 1.234 0.249 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.697 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.2 -24.91 76.11 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.585 2.19 . . . . 0.0 112.522 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 179.344 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.506 0 N-CA-C 113.927 0.331 . . . . 0.0 113.927 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 2' ' ' ARG . 11.9 mtp-105 -55.18 127.22 28.19 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.644 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 61.5 m -108.94 141.9 40.36 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.483 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.5 p -69.51 153.43 43.5 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.649 0.261 . . . . 0.0 111.134 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.566 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.4 35.76 0.56 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.616 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -111.16 -171.94 1.93 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.386 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.2 mt -148.97 118.44 3.99 Favored Pre-proline 0 N--CA 1.464 0.228 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.925 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -68.51 138.25 44.62 Favored 'Cis proline' 0 C--N 1.35 0.655 0 C-N-CA 123.276 -1.552 . . . . 0.0 112.344 -0.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.46 133.56 43.55 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.728 2.285 . . . . 0.0 112.532 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.59 HD12 ' N ' ' A' ' 10' ' ' ILE . 3.1 mp -95.82 104.28 15.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.644 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.4 m -84.79 134.48 34.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.254 0.55 . . . . 0.0 111.634 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -81.57 156.13 70.87 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.568 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -56.85 -26.05 64.9 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.696 2.264 . . . . 0.0 112.238 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 179.217 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.263 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -52.44 133.0 35.48 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.646 0.26 . . . . 0.0 111.544 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 62.9 m -116.83 139.77 50.22 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.561 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.425 HG23 ' HE1' ' A' ' 12' ' ' PHE . 64.5 p -70.43 152.76 43.71 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.788 0.327 . . . . 0.0 111.199 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -81.94 32.11 0.37 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.045 -179.608 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.754 ' C ' HD12 ' A' ' 7' ' ' ILE . 87.1 p -105.28 177.37 4.87 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.708 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.754 HD12 ' C ' ' A' ' 6' ' ' SER . 3.4 mp -137.15 116.67 10.41 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.907 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 58.4 Cg_endo -71.09 142.08 71.65 Favored 'Cis proline' 0 C--N 1.35 0.652 0 C-N-CA 123.316 -1.535 . . . . 0.0 112.322 -0.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 35.8 Cg_exo -61.44 135.63 58.56 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.933 2.422 . . . . 0.0 112.866 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.496 HD12 ' N ' ' A' ' 10' ' ' ILE . 3.2 mp -98.68 106.21 18.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.836 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 79.0 m -87.58 136.17 33.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.26 0.552 . . . . 0.0 111.832 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.425 ' HE1' HG23 ' A' ' 4' ' ' THR . 1.8 m-85 -82.84 160.11 61.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.438 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.13 -22.83 66.26 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.699 2.266 . . . . 0.0 111.992 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.212 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.672 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.557 0 CA-C-O 120.301 -0.166 . . . . 0.0 113.366 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.71 121.33 3.48 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.773 0.429 . . . . 0.0 111.958 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.581 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 76.2 m -116.07 138.79 50.93 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.809 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.6 p -77.37 153.59 33.58 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.684 -0.234 . . . . 0.0 110.423 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 21.9 ttmm -83.7 35.78 0.52 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.024 0.44 . . . . 0.0 111.208 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -103.51 -176.16 3.01 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.33 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.8 mm -139.28 114.38 8.25 Favored Pre-proline 0 CA--C 1.53 0.19 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.825 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 65.7 Cg_endo -72.87 143.72 78.62 Favored 'Cis proline' 0 C--N 1.349 0.604 0 C-N-CA 123.22 -1.575 . . . . 0.0 112.228 -0.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 42.5 Cg_exo -56.22 126.23 21.68 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.629 2.219 . . . . 0.0 112.521 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.2 mt -84.97 102.13 10.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.368 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.581 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.6 m -90.81 137.32 32.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.556 0.693 . . . . 0.0 112.214 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.426 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 2.9 m-30 -84.43 161.83 52.95 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.257 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.4 -32.09 95.46 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.501 2.134 . . . . 0.0 112.19 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 CA--C 1.534 0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 179.648 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.634 0 N-CA-C 113.812 0.285 . . . . 0.0 113.812 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.2 mtm-85 -51.69 160.02 0.71 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 68.6 m -143.42 138.29 29.23 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.454 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.7 p -76.67 155.83 33.08 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.669 0.271 . . . . 0.0 111.214 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 14.81 1.28 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -79.98 -177.17 5.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.695 0.284 . . . . 0.0 110.772 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.9 mt -146.81 113.94 4.3 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.672 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 46.0 Cg_endo -67.84 140.13 52.42 Favored 'Cis proline' 0 C--N 1.35 0.62 0 C-N-CA 123.279 -1.55 . . . . 0.0 112.515 -0.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 34.4 Cg_exo -57.51 134.64 64.69 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.8 2.333 . . . . 0.0 112.378 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -95.24 103.9 15.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.253 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.7 m -86.62 137.13 32.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.2 0.524 . . . . 0.0 111.907 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -79.99 153.49 74.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.956 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.12 -23.66 62.43 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.599 2.2 . . . . 0.0 112.403 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 CA--C 1.533 0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.523 179.594 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.53 0 CA-C-O 120.391 -0.116 . . . . 0.0 113.027 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -49.57 152.53 1.36 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 122.883 0.473 . . . . 0.0 112.229 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 75.8 m -146.61 138.25 24.55 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.115 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.435 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 59.6 p -74.27 157.22 36.2 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.802 0.334 . . . . 0.0 111.205 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -86.27 39.61 0.83 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -124.65 -176.99 3.67 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 83.6 mt -140.77 120.52 8.6 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.056 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 55.6 Cg_endo -69.27 137.29 41.97 Favored 'Cis proline' 0 C--N 1.349 0.556 0 C-N-CA 123.228 -1.572 . . . . 0.0 111.91 -0.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 23.3 Cg_exo -62.0 127.82 22.41 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.195 1.93 . . . . 0.0 111.929 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.435 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 46.3 mm -84.88 100.04 7.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.17 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.2 m -91.91 136.66 32.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.357 0.598 . . . . 0.0 112.352 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -84.86 156.62 60.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.817 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.88 -24.58 65.2 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.885 2.39 . . . . 0.0 112.927 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 CA--C 1.535 0.368 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.036 -179.616 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 113.673 0.229 . . . . 0.0 113.673 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -52.4 127.85 23.68 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 62.3 m -110.67 143.37 41.23 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.423 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 10' ' ' ILE . 62.0 p -63.08 152.02 38.31 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.762 0.315 . . . . 0.0 111.49 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -88.04 42.98 1.09 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.76 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' PRO . 53.2 p -144.0 152.04 40.52 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.763 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.605 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.1 mp -106.95 127.91 27.1 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.785 -0.189 . . . . 0.0 110.918 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.462 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 65.8 Cg_endo -73.58 135.01 38.02 Favored 'Cis proline' 0 C--N 1.352 0.758 0 C-N-CA 123.544 -1.44 . . . . 0.0 112.421 -0.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 17.0 Cg_exo -67.61 127.22 15.99 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.811 2.341 . . . . 0.0 112.88 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 4' ' ' THR . 48.2 mm -93.35 103.29 14.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.784 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.1 m -82.6 135.03 35.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.312 0.577 . . . . 0.0 111.612 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -81.93 157.71 68.59 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.546 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.35 -26.91 73.1 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.673 2.249 . . . . 0.0 112.123 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.322 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.548 0 N-CA-C 113.859 0.304 . . . . 0.0 113.859 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 49.7 ttm-85 -49.4 132.56 20.46 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 64.4 m -118.25 140.02 50.44 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.131 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.1 p -78.72 157.09 28.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.909 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.482 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 2.5 mppt? -85.07 33.16 0.54 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.444 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -91.69 -171.95 3.06 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.755 0.312 . . . . 0.0 110.776 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.9 mt -144.04 107.96 4.97 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 73.7 Cg_endo -74.43 145.71 84.73 Favored 'Cis proline' 0 C--N 1.348 0.543 0 C-N-CA 123.228 -1.572 . . . . 0.0 112.297 -0.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 50.4 Cg_exo -53.62 131.96 46.56 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.7 2.266 . . . . 0.0 112.274 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.9 mt -94.68 104.82 16.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.361 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.3 m -87.69 136.09 33.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.739 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -80.39 157.77 72.4 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.104 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.8 -26.28 72.92 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.588 2.192 . . . . 0.0 112.119 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.193 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 113.994 0.358 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -54.5 129.36 35.75 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 61.7 m -109.57 141.45 42.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.408 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.4 p -69.24 152.65 44.79 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.685 0.278 . . . . 0.0 111.183 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -84.68 33.83 0.53 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.63 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.431 ' O ' HD13 ' A' ' 7' ' ' ILE . 87.4 p -105.28 -177.48 3.38 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.733 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.431 HD13 ' O ' ' A' ' 6' ' ' SER . 42.8 mm -143.34 115.43 5.84 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.798 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 57.3 Cg_endo -70.49 141.13 66.64 Favored 'Cis proline' 0 C--N 1.349 0.605 0 C-N-CA 123.377 -1.51 . . . . 0.0 112.349 -0.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 24.4 Cg_exo -63.56 138.96 67.6 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.964 2.442 . . . . 0.0 112.847 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.557 HD12 ' N ' ' A' ' 10' ' ' ILE . 3.3 mp -103.92 106.13 19.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 77.5 m -83.07 136.27 34.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.281 0.563 . . . . 0.0 112.006 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -80.06 155.52 74.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.388 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.0 -26.14 80.44 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.511 2.141 . . . . 0.0 111.849 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.042 179.312 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.562 0 N-CA-C 113.732 0.253 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 56.6 mtp85 -52.7 126.62 20.46 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 62.2 m -109.04 140.24 42.84 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.653 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.403 HG23 ' HE1' ' A' ' 12' ' ' PHE . 71.7 p -74.34 154.61 38.79 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.659 0.266 . . . . 0.0 111.048 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 6.5 ttpm? -83.76 33.02 0.47 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.841 0.353 . . . . 0.0 111.265 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.437 ' O ' HD13 ' A' ' 7' ' ' ILE . 87.4 p -95.82 -178.12 4.26 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.63 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.437 HD13 ' O ' ' A' ' 6' ' ' SER . 44.1 mm -143.2 111.32 5.52 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.701 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 57.3 Cg_endo -70.46 142.85 73.27 Favored 'Cis proline' 0 C--N 1.349 0.591 0 C-N-CA 123.305 -1.54 . . . . 0.0 112.493 -0.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 31.7 Cg_exo -58.38 136.95 77.78 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.835 2.357 . . . . 0.0 112.405 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.3 mt -101.2 104.96 17.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.323 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.2 m -84.66 136.03 33.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.291 0.567 . . . . 0.0 111.902 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.403 ' HE1' HG23 ' A' ' 4' ' ' THR . 2.4 m-85 -81.49 157.02 70.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.557 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.82 -27.02 76.56 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.647 2.231 . . . . 0.0 112.044 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.532 0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.301 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.495 0 N-CA-C 113.675 0.23 . . . . 0.0 113.675 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -54.18 122.93 11.29 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.683 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 61.3 m -105.38 139.94 39.26 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.542 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.9 p -70.36 147.62 49.38 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.561 0.219 . . . . 0.0 110.65 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -82.43 30.42 0.41 Allowed 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.708 ' C ' HD12 ' A' ' 7' ' ' ILE . 84.6 p -104.65 176.23 5.23 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.618 0.247 . . . . 0.0 110.599 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.708 HD12 ' C ' ' A' ' 6' ' ' SER . 3.1 mp -132.12 117.61 15.95 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.514 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 61.2 Cg_endo -72.29 143.07 76.09 Favored 'Cis proline' 0 C--N 1.35 0.645 0 C-N-CA 123.39 -1.504 . . . . 0.0 112.543 -0.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 21.7 Cg_exo -64.0 133.02 36.67 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.77 2.313 . . . . 0.0 112.317 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt -101.15 103.7 15.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.166 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.683 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 81.8 m -81.42 135.03 35.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.261 0.553 . . . . 0.0 111.696 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -80.93 155.83 72.64 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.553 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.58 -27.42 76.81 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.585 2.19 . . . . 0.0 112.054 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.534 0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 179.137 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.66 0 CA-C-O 120.137 -0.257 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.543 ' HD3' ' C ' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -50.56 130.69 24.48 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.763 0.282 . . . . 0.0 111.753 -178.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 68.5 m -116.32 138.77 51.05 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.4 p -78.96 156.6 28.43 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.776 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.93 31.57 0.43 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.738 ' C ' HD12 ' A' ' 7' ' ' ILE . 81.6 p -90.45 -179.77 5.67 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.631 0.253 . . . . 0.0 110.531 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.738 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -138.49 108.91 7.97 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.678 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 62.9 Cg_endo -72.77 145.65 84.49 Favored 'Cis proline' 0 C--N 1.349 0.604 0 C-N-CA 123.29 -1.546 . . . . 0.0 112.408 -0.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 52.4 Cg_exo -54.71 133.64 58.28 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.762 2.308 . . . . 0.0 112.375 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.6 mt -94.26 103.46 14.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.513 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.2 m -88.24 135.72 33.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.17 0.509 . . . . 0.0 111.51 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -83.35 157.87 64.49 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.164 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.87 -25.53 69.84 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.563 2.176 . . . . 0.0 112.137 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.202 179.357 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 114.203 0.441 . . . . 0.0 114.203 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -57.68 131.95 51.8 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 117.12 0.46 . . . . 0.0 112.109 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 63.5 m -112.17 142.93 44.03 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.373 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.1 p -65.9 153.51 41.84 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.872 0.368 . . . . 0.0 111.685 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -89.7 43.25 1.14 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.061 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 9' ' ' PRO . 55.1 p -140.71 152.55 45.4 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.783 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.61 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.3 mp -108.57 127.6 27.13 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.87 -0.15 . . . . 0.0 111.098 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 65.6 Cg_endo -73.56 135.4 39.8 Favored 'Cis proline' 0 C--N 1.352 0.757 0 C-N-CA 123.484 -1.465 . . . . 0.0 112.357 -0.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 6' ' ' SER . 21.6 Cg_exo -65.74 131.7 28.35 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.858 2.372 . . . . 0.0 112.923 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.2 mt -100.19 104.39 16.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.684 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.3 m -83.61 135.48 34.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.28 0.562 . . . . 0.0 111.58 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.77 155.31 73.3 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.383 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.0 -24.91 67.88 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.515 2.144 . . . . 0.0 111.886 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 CA--C 1.533 0.32 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.234 179.28 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.547 0 N-CA-C 113.667 0.227 . . . . 0.0 113.667 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -49.74 158.76 0.44 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 75.9 m -146.52 138.1 24.57 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.435 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.1 p -72.41 152.95 41.68 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.698 0.285 . . . . 0.0 111.188 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.453 ' HD2' ' C ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -81.8 27.37 0.46 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -105.93 -175.2 2.73 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.596 0.236 . . . . 0.0 110.576 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.4 mt -146.35 119.7 5.14 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.864 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 47.8 Cg_endo -68.14 137.81 41.34 Favored 'Cis proline' 0 C--N 1.351 0.663 0 C-N-CA 123.305 -1.54 . . . . 0.0 112.327 -0.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 20.5 Cg_exo -65.07 134.19 38.63 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.836 2.358 . . . . 0.0 112.638 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.583 ' N ' HD12 ' A' ' 10' ' ' ILE . 3.1 mp -94.92 104.2 15.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.8 m -87.87 137.25 32.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.211 0.529 . . . . 0.0 111.746 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -79.87 154.4 75.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.056 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.15 -24.63 59.71 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.678 2.252 . . . . 0.0 112.571 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 CA--C 1.535 0.375 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.556 179.68 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 114.086 0.394 . . . . 0.0 114.086 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -52.94 142.0 20.56 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 64.4 m -125.31 139.79 53.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.545 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 p -70.23 157.95 36.72 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.678 0.275 . . . . 0.0 111.297 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 4.2 mptp? -85.68 36.99 0.68 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.553 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.7 ' C ' HD12 ' A' ' 7' ' ' ILE . 88.0 p -116.05 172.98 6.82 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.368 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.7 HD12 ' C ' ' A' ' 6' ' ' SER . 3.3 mp -133.04 119.2 15.58 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-O 120.565 0.221 . . . . 0.0 110.792 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.28 140.9 64.92 Favored 'Cis proline' 0 C--N 1.351 0.661 0 C-N-CA 123.326 -1.531 . . . . 0.0 112.441 -0.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.57 131.06 36.08 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.743 2.295 . . . . 0.0 112.573 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.0 mt -90.4 97.88 7.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.181 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 81.2 m -85.0 136.29 33.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.321 0.581 . . . . 0.0 111.913 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.22 156.75 66.3 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.226 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.86 -24.25 63.35 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.484 2.123 . . . . 0.0 112.108 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 CA--C 1.532 0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 179.396 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.491 0 CA-C-O 120.24 -0.2 . . . . 0.0 113.551 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.7 mtm-85 -50.61 129.14 22.0 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.667 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 81.3 m -114.36 138.69 50.22 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.31 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.508 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 55.9 p -72.43 155.55 40.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.535 0.207 . . . . 0.0 110.491 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -83.87 33.05 0.48 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.495 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.467 ' O ' HD13 ' A' ' 7' ' ' ILE . 95.8 p -103.7 -174.07 2.46 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.717 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 6' ' ' SER . 44.1 mm -144.66 115.17 5.2 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.626 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 55.5 Cg_endo -69.54 142.26 68.89 Favored 'Cis proline' 0 C--N 1.35 0.656 0 C-N-CA 123.303 -1.541 . . . . 0.0 112.247 -0.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 43.8 Cg_exo -56.68 129.98 37.5 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.726 2.284 . . . . 0.0 112.444 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.508 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 43.7 mm -87.02 89.23 3.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.361 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.667 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.5 m -79.51 135.04 36.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.339 0.59 . . . . 0.0 111.456 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -85.89 154.47 58.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.486 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.33 -25.53 65.9 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.53 2.153 . . . . 0.0 111.811 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 CA--C 1.532 0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.001 179.216 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 113.677 0.231 . . . . 0.0 113.677 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.507 ' C ' ' HD3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -49.56 125.0 10.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.748 0.309 . . . . 0.0 111.744 -179.105 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 72.5 m -113.33 137.56 51.33 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.418 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 79.7 p -74.33 155.73 37.87 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.674 0.273 . . . . 0.0 111.036 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.487 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -83.07 31.33 0.44 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.868 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -97.77 -175.95 3.32 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.615 0.245 . . . . 0.0 110.489 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.5 mt -146.92 113.78 4.25 Favored Pre-proline 0 C--O 1.233 0.213 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.745 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 50.9 Cg_endo -68.35 139.56 50.99 Favored 'Cis proline' 0 C--N 1.35 0.641 0 C-N-CA 123.257 -1.56 . . . . 0.0 112.503 -0.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 33.7 Cg_exo -58.8 135.2 65.42 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.785 2.324 . . . . 0.0 112.217 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -95.42 103.54 14.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.425 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.4 m -88.93 135.94 33.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.211 0.529 . . . . 0.0 111.705 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.93 157.93 62.58 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.211 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.04 -26.99 71.59 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.522 2.148 . . . . 0.0 112.256 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 CA--C 1.533 0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.418 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.467 0 N-CA-C 112.724 -0.15 . . . . 0.0 112.724 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.5 mtp85 -51.39 154.57 1.73 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 81.3 m -146.61 137.12 23.87 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.024 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.6 p -73.47 151.28 41.13 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.452 0.168 . . . . 0.0 110.693 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -84.42 32.95 0.5 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.675 0.274 . . . . 0.0 111.593 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.6 p -107.77 -179.01 3.78 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.413 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 mm -138.28 117.33 9.65 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 120.583 0.23 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.483 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 59.0 Cg_endo -71.52 143.8 77.74 Favored 'Cis proline' 0 C--N 1.35 0.644 0 C-N-CA 123.346 -1.523 . . . . 0.0 112.308 -0.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 14.3 Cg_exo -67.65 132.27 26.53 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.804 2.336 . . . . 0.0 112.548 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.565 ' N ' HD12 ' A' ' 10' ' ' ILE . 2.7 mp -93.17 103.61 14.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.114 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 77.8 m -89.61 137.98 31.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.585 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -89.28 155.55 48.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.351 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.7 -22.18 43.1 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.155 2.57 . . . . 0.0 113.596 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 CA--C 1.532 0.265 0 CA-C-O 120.491 0.186 . . . . 0.0 110.828 179.802 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 114.133 0.413 . . . . 0.0 114.133 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -54.68 160.07 1.97 Allowed 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 117.118 0.459 . . . . 0.0 112.125 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 66.3 m -140.08 139.39 35.87 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.225 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.4 p -71.88 149.37 45.23 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.673 0.273 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.412 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -79.45 19.75 0.59 Allowed 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' HD13 ' A' ' 7' ' ' ILE . 85.2 p -89.26 -178.88 5.75 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.565 0.222 . . . . 0.0 110.748 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.427 HD13 ' O ' ' A' ' 6' ' ' SER . 44.0 mm -142.71 115.52 6.18 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.723 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 55.6 Cg_endo -69.53 141.66 66.15 Favored 'Cis proline' 0 C--N 1.35 0.65 0 C-N-CA 123.357 -1.518 . . . . 0.0 112.37 -0.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 21.9 Cg_exo -64.87 138.31 57.21 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.977 2.452 . . . . 0.0 112.678 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.563 ' N ' HD12 ' A' ' 10' ' ' ILE . 3.2 mp -102.35 105.78 18.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 95.6 m -83.37 137.73 33.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.264 0.554 . . . . 0.0 111.889 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -79.83 151.97 74.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.98 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -59.3 -23.13 68.54 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.594 2.196 . . . . 0.0 112.152 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 CA--C 1.533 0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.473 179.573 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 113.761 0.264 . . . . 0.0 113.761 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.536 ' HD3' ' N ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -52.7 134.59 36.12 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 122.492 0.317 . . . . 0.0 111.37 -178.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 67.3 m -120.63 139.39 53.07 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.855 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.5 p -77.51 155.73 31.46 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.528 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -82.33 29.49 0.42 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.726 ' C ' HD12 ' A' ' 7' ' ' ILE . 85.9 p -96.89 177.24 5.69 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.58 0.229 . . . . 0.0 110.759 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.726 HD12 ' C ' ' A' ' 6' ' ' SER . 3.5 mp -137.63 112.34 9.09 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.501 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 63.4 Cg_endo -72.89 143.48 77.91 Favored 'Cis proline' 0 C--N 1.349 0.589 0 C-N-CA 123.312 -1.537 . . . . 0.0 112.352 -0.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 33.5 Cg_exo -60.88 136.91 69.03 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.837 2.358 . . . . 0.0 112.661 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 10' ' ' ILE . 3.2 mp -99.24 106.9 19.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.364 -0.38 . . . . 0.0 109.993 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 79.5 m -89.68 134.99 33.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.434 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -80.86 158.16 70.79 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.319 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.22 -25.53 56.29 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.753 2.302 . . . . 0.0 112.509 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 CA--C 1.535 0.373 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.398 179.578 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.47 0 CA-C-O 120.344 -0.142 . . . . 0.0 113.204 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -54.12 132.04 42.2 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.328 0.251 . . . . 0.0 111.107 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 76.2 m -121.89 141.79 50.92 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.507 0.194 . . . . 0.0 111.137 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.0 p -82.7 165.91 19.56 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.879 0.371 . . . . 0.0 111.505 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.83 33.77 0.85 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.653 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -98.18 -176.62 3.47 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.76 0.314 . . . . 0.0 111.34 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.468 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 71.1 mt -138.81 106.25 7.51 Favored Pre-proline 0 C--O 1.233 0.235 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.832 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' ILE . 73.1 Cg_endo -74.77 149.32 93.7 Favored 'Cis proline' 0 C--N 1.352 0.716 0 C-N-CA 123.687 -1.381 . . . . 0.0 112.506 -0.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 32.4 Cg_exo -57.9 132.19 48.24 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.822 2.348 . . . . 0.0 112.405 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.1 mt -88.54 102.34 12.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.379 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 80.8 m -93.05 137.32 32.51 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.547 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -87.6 165.44 30.32 Favored Pre-proline 0 C--O 1.234 0.249 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.697 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.2 -24.91 76.11 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.585 2.19 . . . . 0.0 112.522 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 179.344 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.506 0 N-CA-C 113.927 0.331 . . . . 0.0 113.927 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 2' ' ' ARG . 11.9 mtp-105 -55.18 127.22 28.19 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.644 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 61.5 m -108.94 141.9 40.36 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.483 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.5 p -69.51 153.43 43.5 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.649 0.261 . . . . 0.0 111.134 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.566 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.4 35.76 0.56 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.616 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -111.16 -171.94 1.93 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.386 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.2 mt -148.97 118.44 3.99 Favored Pre-proline 0 N--CA 1.464 0.228 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.925 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -68.51 138.25 44.62 Favored 'Cis proline' 0 C--N 1.35 0.655 0 C-N-CA 123.276 -1.552 . . . . 0.0 112.344 -0.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.46 133.56 43.55 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.728 2.285 . . . . 0.0 112.532 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.59 ' N ' HD12 ' A' ' 10' ' ' ILE . 3.1 mp -95.82 104.28 15.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.644 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.4 m -84.79 134.48 34.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.254 0.55 . . . . 0.0 111.634 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -81.57 156.13 70.87 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.568 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -56.85 -26.05 64.9 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.696 2.264 . . . . 0.0 112.238 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 179.217 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.263 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -52.44 133.0 35.48 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.646 0.26 . . . . 0.0 111.544 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 62.9 m -116.83 139.77 50.22 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.561 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.425 HG23 ' HE1' ' A' ' 12' ' ' PHE . 64.5 p -70.43 152.76 43.71 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.788 0.327 . . . . 0.0 111.199 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.449 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -81.94 32.11 0.37 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.045 -179.608 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.754 ' C ' HD12 ' A' ' 7' ' ' ILE . 87.1 p -105.28 177.37 4.87 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.708 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.754 HD12 ' C ' ' A' ' 6' ' ' SER . 3.4 mp -137.15 116.67 10.41 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.907 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 58.4 Cg_endo -71.09 142.08 71.65 Favored 'Cis proline' 0 C--N 1.35 0.652 0 C-N-CA 123.316 -1.535 . . . . 0.0 112.322 -0.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 35.8 Cg_exo -61.44 135.63 58.56 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.933 2.422 . . . . 0.0 112.866 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.496 ' N ' HD12 ' A' ' 10' ' ' ILE . 3.2 mp -98.68 106.21 18.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.836 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 79.0 m -87.58 136.17 33.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.26 0.552 . . . . 0.0 111.832 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.425 ' HE1' HG23 ' A' ' 4' ' ' THR . 1.8 m-85 -82.84 160.11 61.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.438 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.13 -22.83 66.26 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.699 2.266 . . . . 0.0 111.992 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.212 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.672 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.557 0 CA-C-O 120.301 -0.166 . . . . 0.0 113.366 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.71 121.33 3.48 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.773 0.429 . . . . 0.0 111.958 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.581 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 76.2 m -116.07 138.79 50.93 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.809 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.6 p -77.37 153.59 33.58 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.684 -0.234 . . . . 0.0 110.423 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 21.9 ttmm -83.7 35.78 0.52 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.024 0.44 . . . . 0.0 111.208 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -103.51 -176.16 3.01 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.33 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.8 mm -139.28 114.38 8.25 Favored Pre-proline 0 CA--C 1.53 0.19 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.825 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 65.7 Cg_endo -72.87 143.72 78.62 Favored 'Cis proline' 0 C--N 1.349 0.604 0 C-N-CA 123.22 -1.575 . . . . 0.0 112.228 -0.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 42.5 Cg_exo -56.22 126.23 21.68 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.629 2.219 . . . . 0.0 112.521 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.2 mt -84.97 102.13 10.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.368 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.581 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.6 m -90.81 137.32 32.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.556 0.693 . . . . 0.0 112.214 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.426 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 2.9 m-30 -84.43 161.83 52.95 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.257 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.4 -32.09 95.46 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.501 2.134 . . . . 0.0 112.19 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 CA--C 1.534 0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 179.648 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.634 0 N-CA-C 113.812 0.285 . . . . 0.0 113.812 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.2 mtm-85 -51.69 160.02 0.71 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 68.6 m -143.42 138.29 29.23 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.454 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.7 p -76.67 155.83 33.08 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.669 0.271 . . . . 0.0 111.214 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 14.81 1.28 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -79.98 -177.17 5.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.695 0.284 . . . . 0.0 110.772 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.9 mt -146.81 113.94 4.3 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.672 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 46.0 Cg_endo -67.84 140.13 52.42 Favored 'Cis proline' 0 C--N 1.35 0.62 0 C-N-CA 123.279 -1.55 . . . . 0.0 112.515 -0.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 34.4 Cg_exo -57.51 134.64 64.69 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.8 2.333 . . . . 0.0 112.378 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -95.24 103.9 15.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.253 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.7 m -86.62 137.13 32.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.2 0.524 . . . . 0.0 111.907 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -79.99 153.49 74.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.956 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.12 -23.66 62.43 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.599 2.2 . . . . 0.0 112.403 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 CA--C 1.533 0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.523 179.594 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.53 0 CA-C-O 120.391 -0.116 . . . . 0.0 113.027 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -49.57 152.53 1.36 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 122.883 0.473 . . . . 0.0 112.229 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 75.8 m -146.61 138.25 24.55 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.115 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.435 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 59.6 p -74.27 157.22 36.2 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.802 0.334 . . . . 0.0 111.205 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -86.27 39.61 0.83 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -124.65 -176.99 3.67 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 83.6 mt -140.77 120.52 8.6 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.056 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 55.6 Cg_endo -69.27 137.29 41.97 Favored 'Cis proline' 0 C--N 1.349 0.556 0 C-N-CA 123.228 -1.572 . . . . 0.0 111.91 -0.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 23.3 Cg_exo -62.0 127.82 22.41 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.195 1.93 . . . . 0.0 111.929 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.435 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 46.3 mm -84.88 100.04 7.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.17 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.2 m -91.91 136.66 32.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.357 0.598 . . . . 0.0 112.352 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -84.86 156.62 60.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.817 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.88 -24.58 65.2 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.885 2.39 . . . . 0.0 112.927 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 CA--C 1.535 0.368 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.036 -179.616 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 113.673 0.229 . . . . 0.0 113.673 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -52.4 127.85 23.68 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 62.3 m -110.67 143.37 41.23 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.423 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 10' ' ' ILE . 62.0 p -63.08 152.02 38.31 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.762 0.315 . . . . 0.0 111.49 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -88.04 42.98 1.09 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.76 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' PRO . 53.2 p -144.0 152.04 40.52 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.763 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.605 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.1 mp -106.95 127.91 27.1 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.785 -0.189 . . . . 0.0 110.918 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.462 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 65.8 Cg_endo -73.58 135.01 38.02 Favored 'Cis proline' 0 C--N 1.352 0.758 0 C-N-CA 123.544 -1.44 . . . . 0.0 112.421 -0.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 17.0 Cg_exo -67.61 127.22 15.99 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.811 2.341 . . . . 0.0 112.88 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 4' ' ' THR . 48.2 mm -93.35 103.29 14.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.784 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.1 m -82.6 135.03 35.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.312 0.577 . . . . 0.0 111.612 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -81.93 157.71 68.59 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.546 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.35 -26.91 73.1 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.673 2.249 . . . . 0.0 112.123 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.322 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.548 0 N-CA-C 113.859 0.304 . . . . 0.0 113.859 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 49.7 ttm-85 -49.4 132.56 20.46 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 64.4 m -118.25 140.02 50.44 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.131 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.1 p -78.72 157.09 28.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.909 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.482 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 2.5 mppt? -85.07 33.16 0.54 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.444 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -91.69 -171.95 3.06 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.755 0.312 . . . . 0.0 110.776 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.9 mt -144.04 107.96 4.97 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 73.7 Cg_endo -74.43 145.71 84.73 Favored 'Cis proline' 0 C--N 1.348 0.543 0 C-N-CA 123.228 -1.572 . . . . 0.0 112.297 -0.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 50.4 Cg_exo -53.62 131.96 46.56 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.7 2.266 . . . . 0.0 112.274 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.9 mt -94.68 104.82 16.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.361 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.3 m -87.69 136.09 33.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.739 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -80.39 157.77 72.4 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.104 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.8 -26.28 72.92 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.588 2.192 . . . . 0.0 112.119 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.193 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 113.994 0.358 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -54.5 129.36 35.75 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 61.7 m -109.57 141.45 42.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.408 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.4 p -69.24 152.65 44.79 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.685 0.278 . . . . 0.0 111.183 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -84.68 33.83 0.53 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.63 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.431 ' O ' HD13 ' A' ' 7' ' ' ILE . 87.4 p -105.28 -177.48 3.38 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.733 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.431 HD13 ' O ' ' A' ' 6' ' ' SER . 42.8 mm -143.34 115.43 5.84 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.798 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 57.3 Cg_endo -70.49 141.13 66.64 Favored 'Cis proline' 0 C--N 1.349 0.605 0 C-N-CA 123.377 -1.51 . . . . 0.0 112.349 -0.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 24.4 Cg_exo -63.56 138.96 67.6 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.964 2.442 . . . . 0.0 112.847 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.557 ' N ' HD12 ' A' ' 10' ' ' ILE . 3.3 mp -103.92 106.13 19.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 77.5 m -83.07 136.27 34.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.281 0.563 . . . . 0.0 112.006 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -80.06 155.52 74.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.388 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.0 -26.14 80.44 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.511 2.141 . . . . 0.0 111.849 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.042 179.312 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.562 0 N-CA-C 113.732 0.253 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 56.6 mtp85 -52.7 126.62 20.46 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 62.2 m -109.04 140.24 42.84 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.653 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.403 HG23 ' HE1' ' A' ' 12' ' ' PHE . 71.7 p -74.34 154.61 38.79 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.659 0.266 . . . . 0.0 111.048 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.439 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 6.5 ttpm? -83.76 33.02 0.47 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.841 0.353 . . . . 0.0 111.265 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.437 ' O ' HD13 ' A' ' 7' ' ' ILE . 87.4 p -95.82 -178.12 4.26 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.63 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.437 HD13 ' O ' ' A' ' 6' ' ' SER . 44.1 mm -143.2 111.32 5.52 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.701 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 57.3 Cg_endo -70.46 142.85 73.27 Favored 'Cis proline' 0 C--N 1.349 0.591 0 C-N-CA 123.305 -1.54 . . . . 0.0 112.493 -0.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 31.7 Cg_exo -58.38 136.95 77.78 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.835 2.357 . . . . 0.0 112.405 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.3 mt -101.2 104.96 17.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.323 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.2 m -84.66 136.03 33.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.291 0.567 . . . . 0.0 111.902 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.403 ' HE1' HG23 ' A' ' 4' ' ' THR . 2.4 m-85 -81.49 157.02 70.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.557 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.82 -27.02 76.56 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.647 2.231 . . . . 0.0 112.044 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.532 0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.301 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.495 0 N-CA-C 113.675 0.23 . . . . 0.0 113.675 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -54.18 122.93 11.29 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.683 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 61.3 m -105.38 139.94 39.26 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.542 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.9 p -70.36 147.62 49.38 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.561 0.219 . . . . 0.0 110.65 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -82.43 30.42 0.41 Allowed 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.708 ' C ' HD12 ' A' ' 7' ' ' ILE . 84.6 p -104.65 176.23 5.23 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.618 0.247 . . . . 0.0 110.599 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.708 HD12 ' C ' ' A' ' 6' ' ' SER . 3.1 mp -132.12 117.61 15.95 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.514 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 61.2 Cg_endo -72.29 143.07 76.09 Favored 'Cis proline' 0 C--N 1.35 0.645 0 C-N-CA 123.39 -1.504 . . . . 0.0 112.543 -0.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 21.7 Cg_exo -64.0 133.02 36.67 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.77 2.313 . . . . 0.0 112.317 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt -101.15 103.7 15.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.166 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.683 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 81.8 m -81.42 135.03 35.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.261 0.553 . . . . 0.0 111.696 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -80.93 155.83 72.64 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.553 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.58 -27.42 76.81 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.585 2.19 . . . . 0.0 112.054 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.534 0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 179.137 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.66 0 CA-C-O 120.137 -0.257 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . 0.543 ' C ' ' HD3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -50.56 130.69 24.48 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.763 0.282 . . . . 0.0 111.753 -178.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 68.5 m -116.32 138.77 51.05 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.4 p -78.96 156.6 28.43 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.776 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.93 31.57 0.43 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.738 ' C ' HD12 ' A' ' 7' ' ' ILE . 81.6 p -90.45 -179.77 5.67 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.631 0.253 . . . . 0.0 110.531 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.738 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -138.49 108.91 7.97 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.678 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 62.9 Cg_endo -72.77 145.65 84.49 Favored 'Cis proline' 0 C--N 1.349 0.604 0 C-N-CA 123.29 -1.546 . . . . 0.0 112.408 -0.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 52.4 Cg_exo -54.71 133.64 58.28 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.762 2.308 . . . . 0.0 112.375 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.6 mt -94.26 103.46 14.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.513 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.2 m -88.24 135.72 33.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.17 0.509 . . . . 0.0 111.51 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -83.35 157.87 64.49 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.164 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.87 -25.53 69.84 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.563 2.176 . . . . 0.0 112.137 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.202 179.357 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 114.203 0.441 . . . . 0.0 114.203 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -57.68 131.95 51.8 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 117.12 0.46 . . . . 0.0 112.109 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 63.5 m -112.17 142.93 44.03 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.373 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.1 p -65.9 153.51 41.84 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.872 0.368 . . . . 0.0 111.685 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -89.7 43.25 1.14 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.061 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 9' ' ' PRO . 55.1 p -140.71 152.55 45.4 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.783 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.61 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.3 mp -108.57 127.6 27.13 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.87 -0.15 . . . . 0.0 111.098 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 65.6 Cg_endo -73.56 135.4 39.8 Favored 'Cis proline' 0 C--N 1.352 0.757 0 C-N-CA 123.484 -1.465 . . . . 0.0 112.357 -0.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 6' ' ' SER . 21.6 Cg_exo -65.74 131.7 28.35 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.858 2.372 . . . . 0.0 112.923 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.2 mt -100.19 104.39 16.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.684 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.3 m -83.61 135.48 34.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.28 0.562 . . . . 0.0 111.58 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.77 155.31 73.3 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.383 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.0 -24.91 67.88 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.515 2.144 . . . . 0.0 111.886 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 CA--C 1.533 0.32 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.234 179.28 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.547 0 N-CA-C 113.667 0.227 . . . . 0.0 113.667 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -49.74 158.76 0.44 Allowed 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 75.9 m -146.52 138.1 24.57 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.435 179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 78.1 p -72.41 152.95 41.68 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.698 0.285 . . . . 0.0 111.188 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.453 ' HD2' ' C ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -81.8 27.37 0.46 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -105.93 -175.2 2.73 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 120.596 0.236 . . . . 0.0 110.576 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 69.4 mt -146.35 119.7 5.14 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.864 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 47.8 Cg_endo -68.14 137.81 41.34 Favored 'Cis proline' 0 C--N 1.351 0.663 0 C-N-CA 123.305 -1.54 . . . . 0.0 112.327 -0.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 20.5 Cg_exo -65.07 134.19 38.63 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.836 2.358 . . . . 0.0 112.638 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.583 ' N ' HD12 ' A' ' 10' ' ' ILE . 3.1 mp -94.92 104.2 15.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.612 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.8 m -87.87 137.25 32.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.211 0.529 . . . . 0.0 111.746 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -79.87 154.4 75.5 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.056 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -57.15 -24.63 59.71 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.678 2.252 . . . . 0.0 112.571 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 CA--C 1.535 0.375 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.556 179.68 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 N-CA-C 114.086 0.394 . . . . 0.0 114.086 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -52.94 142.0 20.56 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 64.4 m -125.31 139.79 53.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.545 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.5 p -70.23 157.95 36.72 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.678 0.275 . . . . 0.0 111.297 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 4.2 mptp? -85.68 36.99 0.68 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.553 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.7 ' C ' HD12 ' A' ' 7' ' ' ILE . 88.0 p -116.05 172.98 6.82 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.368 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.7 HD12 ' C ' ' A' ' 6' ' ' SER . 3.3 mp -133.04 119.2 15.58 Favored Pre-proline 0 CA--C 1.53 0.209 0 CA-C-O 120.565 0.221 . . . . 0.0 110.792 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.28 140.9 64.92 Favored 'Cis proline' 0 C--N 1.351 0.661 0 C-N-CA 123.326 -1.531 . . . . 0.0 112.441 -0.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.57 131.06 36.08 Favored 'Trans proline' 0 C--N 1.349 0.586 0 C-N-CA 122.743 2.295 . . . . 0.0 112.573 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.0 mt -90.4 97.88 7.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.181 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.573 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 81.2 m -85.0 136.29 33.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.321 0.581 . . . . 0.0 111.913 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -83.22 156.75 66.3 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.226 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -57.86 -24.25 63.35 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.484 2.123 . . . . 0.0 112.108 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 CA--C 1.532 0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 179.396 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.491 0 CA-C-O 120.24 -0.2 . . . . 0.0 113.551 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 70.7 mtm-85 -50.61 129.14 22.0 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.667 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 81.3 m -114.36 138.69 50.22 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.31 178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.508 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 55.9 p -72.43 155.55 40.0 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.535 0.207 . . . . 0.0 110.491 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -83.87 33.05 0.48 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.495 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.467 ' O ' HD13 ' A' ' 7' ' ' ILE . 95.8 p -103.7 -174.07 2.46 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.593 -0.276 . . . . 0.0 110.717 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 6' ' ' SER . 44.1 mm -144.66 115.17 5.2 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.626 179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 55.5 Cg_endo -69.54 142.26 68.89 Favored 'Cis proline' 0 C--N 1.35 0.656 0 C-N-CA 123.303 -1.541 . . . . 0.0 112.247 -0.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 43.8 Cg_exo -56.68 129.98 37.5 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.726 2.284 . . . . 0.0 112.444 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.508 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 43.7 mm -87.02 89.23 3.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.361 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.667 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 85.5 m -79.51 135.04 36.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.339 0.59 . . . . 0.0 111.456 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.3 m-30 -85.89 154.47 58.26 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 114.988 -1.005 . . . . 0.0 110.486 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.33 -25.53 65.9 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.53 2.153 . . . . 0.0 111.811 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 CA--C 1.532 0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.001 179.216 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 113.677 0.231 . . . . 0.0 113.677 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.507 ' C ' ' HD3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -49.56 125.0 10.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.748 0.309 . . . . 0.0 111.744 -179.105 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 72.5 m -113.33 137.56 51.33 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.418 179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 79.7 p -74.33 155.73 37.87 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.674 0.273 . . . . 0.0 111.036 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.487 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -83.07 31.33 0.44 Allowed 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.868 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -97.77 -175.95 3.32 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.615 0.245 . . . . 0.0 110.489 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.5 mt -146.92 113.78 4.25 Favored Pre-proline 0 C--O 1.233 0.213 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.745 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 50.9 Cg_endo -68.35 139.56 50.99 Favored 'Cis proline' 0 C--N 1.35 0.641 0 C-N-CA 123.257 -1.56 . . . . 0.0 112.503 -0.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 33.7 Cg_exo -58.8 135.2 65.42 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.785 2.324 . . . . 0.0 112.217 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.9 mt -95.42 103.54 14.81 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.425 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 71.4 m -88.93 135.94 33.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.211 0.529 . . . . 0.0 111.705 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.93 157.93 62.58 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.211 178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.04 -26.99 71.59 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.522 2.148 . . . . 0.0 112.256 179.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 CA--C 1.533 0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.153 179.418 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.467 0 N-CA-C 112.724 -0.15 . . . . 0.0 112.724 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.5 mtp85 -51.39 154.57 1.73 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 81.3 m -146.61 137.12 23.87 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.024 179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.6 p -73.47 151.28 41.13 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.452 0.168 . . . . 0.0 110.693 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -84.42 32.95 0.5 Allowed 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 120.675 0.274 . . . . 0.0 111.593 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.6 p -107.77 -179.01 3.78 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 116.572 -0.286 . . . . 0.0 110.413 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.0 mm -138.28 117.33 9.65 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-O 120.583 0.23 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.483 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 59.0 Cg_endo -71.52 143.8 77.74 Favored 'Cis proline' 0 C--N 1.35 0.644 0 C-N-CA 123.346 -1.523 . . . . 0.0 112.308 -0.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 14.3 Cg_exo -67.65 132.27 26.53 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.804 2.336 . . . . 0.0 112.548 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.565 ' N ' HD12 ' A' ' 10' ' ' ILE . 2.7 mp -93.17 103.61 14.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.114 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 77.8 m -89.61 137.98 31.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.585 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -89.28 155.55 48.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.351 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_exo -56.7 -22.18 43.1 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.155 2.57 . . . . 0.0 113.596 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 CA--C 1.532 0.265 0 CA-C-O 120.491 0.186 . . . . 0.0 110.828 179.802 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.671 0 N-CA-C 114.133 0.413 . . . . 0.0 114.133 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -54.68 160.07 1.97 Allowed 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 117.118 0.459 . . . . 0.0 112.125 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 66.3 m -140.08 139.39 35.87 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.225 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 80.4 p -71.88 149.37 45.23 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.673 0.273 . . . . 0.0 111.04 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.412 ' H ' ' HD2' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -79.45 19.75 0.59 Allowed 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -179.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.427 ' O ' HD13 ' A' ' 7' ' ' ILE . 85.2 p -89.26 -178.88 5.75 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.565 0.222 . . . . 0.0 110.748 179.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.427 HD13 ' O ' ' A' ' 6' ' ' SER . 44.0 mm -142.71 115.52 6.18 Favored Pre-proline 0 CA--C 1.531 0.223 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.723 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 55.6 Cg_endo -69.53 141.66 66.15 Favored 'Cis proline' 0 C--N 1.35 0.65 0 C-N-CA 123.357 -1.518 . . . . 0.0 112.37 -0.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 21.9 Cg_exo -64.87 138.31 57.21 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.977 2.452 . . . . 0.0 112.678 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.563 ' N ' HD12 ' A' ' 10' ' ' ILE . 3.2 mp -102.35 105.78 18.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 95.6 m -83.37 137.73 33.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.264 0.554 . . . . 0.0 111.889 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -79.83 151.97 74.23 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.98 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -59.3 -23.13 68.54 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.594 2.196 . . . . 0.0 112.152 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 CA--C 1.533 0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.473 179.573 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.604 0 N-CA-C 113.761 0.264 . . . . 0.0 113.761 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.536 ' HD3' ' N ' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -52.7 134.59 36.12 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 122.492 0.317 . . . . 0.0 111.37 -178.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 67.3 m -120.63 139.39 53.07 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.855 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 53.5 p -77.51 155.73 31.46 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.528 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -82.33 29.49 0.42 Allowed 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.726 ' C ' HD12 ' A' ' 7' ' ' ILE . 85.9 p -96.89 177.24 5.69 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.58 0.229 . . . . 0.0 110.759 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.726 HD12 ' C ' ' A' ' 6' ' ' SER . 3.5 mp -137.63 112.34 9.09 Favored Pre-proline 0 CA--C 1.532 0.275 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.501 179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 63.4 Cg_endo -72.89 143.48 77.91 Favored 'Cis proline' 0 C--N 1.349 0.589 0 C-N-CA 123.312 -1.537 . . . . 0.0 112.352 -0.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 33.5 Cg_exo -60.88 136.91 69.03 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.837 2.358 . . . . 0.0 112.661 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 10' ' ' ILE . 3.2 mp -99.24 106.9 19.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.364 -0.38 . . . . 0.0 109.993 178.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.541 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 79.5 m -89.68 134.99 33.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.434 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -80.86 158.16 70.79 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.319 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -56.22 -25.53 56.29 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.753 2.302 . . . . 0.0 112.509 179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 p30 . . . . . 0 CA--C 1.535 0.373 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.398 179.578 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.47 0 CA-C-O 120.344 -0.142 . . . . 0.0 113.204 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.7 mtm180 -54.12 132.04 42.2 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.328 0.251 . . . . 0.0 111.107 -179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 76.2 m -121.89 141.79 50.92 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.507 0.194 . . . . 0.0 111.137 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.0 p -82.7 165.91 19.56 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.879 0.371 . . . . 0.0 111.505 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.83 33.77 0.85 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.653 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -98.18 -176.62 3.47 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.76 0.314 . . . . 0.0 111.34 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.468 ' HA ' ' HA ' ' A' ' 8' ' ' PRO . 71.1 mt -138.81 106.25 7.51 Favored Pre-proline 0 C--O 1.233 0.235 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.832 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.468 ' HA ' ' HA ' ' A' ' 7' ' ' ILE . 73.1 Cg_endo -74.77 149.32 93.7 Favored 'Cis proline' 0 C--N 1.352 0.716 0 C-N-CA 123.687 -1.381 . . . . 0.0 112.506 -0.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 32.4 Cg_exo -57.9 132.19 48.24 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.822 2.348 . . . . 0.0 112.405 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 38.1 mt -88.54 102.34 12.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.379 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 80.8 m -93.05 137.32 32.51 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.547 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -87.6 165.44 30.32 Favored Pre-proline 0 C--O 1.234 0.249 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.697 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.2 -24.91 76.11 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.585 2.19 . . . . 0.0 112.522 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 . . . . . 0 CA--C 1.532 0.284 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 179.344 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.506 0 N-CA-C 113.927 0.331 . . . . 0.0 113.927 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 2' ' ' ARG . 11.9 mtp-105 -55.18 127.22 28.19 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.644 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 61.5 m -108.94 141.9 40.36 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.483 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 75.5 p -69.51 153.43 43.5 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.649 0.261 . . . . 0.0 111.134 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.566 ' H ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.4 35.76 0.56 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.616 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.7 p -111.16 -171.94 1.93 Allowed 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.386 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 60.2 mt -148.97 118.44 3.99 Favored Pre-proline 0 N--CA 1.464 0.228 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.925 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -68.51 138.25 44.62 Favored 'Cis proline' 0 C--N 1.35 0.655 0 C-N-CA 123.276 -1.552 . . . . 0.0 112.344 -0.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.46 133.56 43.55 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.728 2.285 . . . . 0.0 112.532 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.59 ' N ' HD12 ' A' ' 10' ' ' ILE . 3.1 mp -95.82 104.28 15.66 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.644 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.4 m -84.79 134.48 34.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.254 0.55 . . . . 0.0 111.634 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.3 m-30 -81.57 156.13 70.87 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.568 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -56.85 -26.05 64.9 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.696 2.264 . . . . 0.0 112.238 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 179.217 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.263 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -52.44 133.0 35.48 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.646 0.26 . . . . 0.0 111.544 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 62.9 m -116.83 139.77 50.22 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.561 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.425 HG23 ' HE1' ' A' ' 12' ' ' PHE . 64.5 p -70.43 152.76 43.71 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.788 0.327 . . . . 0.0 111.199 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -81.94 32.11 0.37 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.045 -179.608 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.754 ' C ' HD12 ' A' ' 7' ' ' ILE . 87.1 p -105.28 177.37 4.87 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.708 179.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.754 HD12 ' C ' ' A' ' 6' ' ' SER . 3.4 mp -137.15 116.67 10.41 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.907 179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 58.4 Cg_endo -71.09 142.08 71.65 Favored 'Cis proline' 0 C--N 1.35 0.652 0 C-N-CA 123.316 -1.535 . . . . 0.0 112.322 -0.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 35.8 Cg_exo -61.44 135.63 58.56 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.933 2.422 . . . . 0.0 112.866 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.496 ' N ' HD12 ' A' ' 10' ' ' ILE . 3.2 mp -98.68 106.21 18.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.836 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 79.0 m -87.58 136.17 33.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.26 0.552 . . . . 0.0 111.832 -179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.425 ' HE1' HG23 ' A' ' 4' ' ' THR . 1.8 m-85 -82.84 160.11 61.72 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.438 179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -59.13 -22.83 66.26 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.699 2.266 . . . . 0.0 111.992 178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.212 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.672 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.557 0 CA-C-O 120.301 -0.166 . . . . 0.0 113.366 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.71 121.33 3.48 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.773 0.429 . . . . 0.0 111.958 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.581 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 76.2 m -116.07 138.79 50.93 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.809 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 72.6 p -77.37 153.59 33.58 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.684 -0.234 . . . . 0.0 110.423 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 5' ' ' LYS . 21.9 ttmm -83.7 35.78 0.52 Allowed 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.024 0.44 . . . . 0.0 111.208 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.3 p -103.51 -176.16 3.01 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.33 179.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.8 mm -139.28 114.38 8.25 Favored Pre-proline 0 CA--C 1.53 0.19 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.825 179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 65.7 Cg_endo -72.87 143.72 78.62 Favored 'Cis proline' 0 C--N 1.349 0.604 0 C-N-CA 123.22 -1.575 . . . . 0.0 112.228 -0.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 42.5 Cg_exo -56.22 126.23 21.68 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.629 2.219 . . . . 0.0 112.521 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 52.2 mt -84.97 102.13 10.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.368 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.581 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.6 m -90.81 137.32 32.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.556 0.693 . . . . 0.0 112.214 -179.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.426 ' N ' ' CD1' ' A' ' 12' ' ' PHE . 2.9 m-30 -84.43 161.83 52.95 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 114.583 -1.189 . . . . 0.0 110.257 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.4 -32.09 95.46 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.501 2.134 . . . . 0.0 112.19 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 CA--C 1.534 0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 179.648 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.634 0 N-CA-C 113.812 0.285 . . . . 0.0 113.812 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.2 mtm-85 -51.69 160.02 0.71 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 68.6 m -143.42 138.29 29.23 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.454 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.7 p -76.67 155.83 33.08 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.669 0.271 . . . . 0.0 111.214 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 14.81 1.28 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.4 p -79.98 -177.17 5.86 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.695 0.284 . . . . 0.0 110.772 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.9 mt -146.81 113.94 4.3 Favored Pre-proline 0 CA--C 1.531 0.232 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.672 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 46.0 Cg_endo -67.84 140.13 52.42 Favored 'Cis proline' 0 C--N 1.35 0.62 0 C-N-CA 123.279 -1.55 . . . . 0.0 112.515 -0.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 34.4 Cg_exo -57.51 134.64 64.69 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 122.8 2.333 . . . . 0.0 112.378 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.5 mt -95.24 103.9 15.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.21 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.253 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.664 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 74.7 m -86.62 137.13 32.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.2 0.524 . . . . 0.0 111.907 -179.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -79.99 153.49 74.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.956 178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.12 -23.66 62.43 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.599 2.2 . . . . 0.0 112.403 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.9 p30 . . . . . 0 CA--C 1.533 0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.523 179.594 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.53 0 CA-C-O 120.391 -0.116 . . . . 0.0 113.027 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -49.57 152.53 1.36 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 122.883 0.473 . . . . 0.0 112.229 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 75.8 m -146.61 138.25 24.55 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.115 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.435 ' CG2' ' HB ' ' A' ' 10' ' ' ILE . 59.6 p -74.27 157.22 36.2 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.802 0.334 . . . . 0.0 111.205 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 ptmm? -86.27 39.61 0.83 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.164 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -124.65 -176.99 3.67 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 83.6 mt -140.77 120.52 8.6 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.056 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 55.6 Cg_endo -69.27 137.29 41.97 Favored 'Cis proline' 0 C--N 1.349 0.556 0 C-N-CA 123.228 -1.572 . . . . 0.0 111.91 -0.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 23.3 Cg_exo -62.0 127.82 22.41 Favored 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.195 1.93 . . . . 0.0 111.929 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.435 ' HB ' ' CG2' ' A' ' 4' ' ' THR . 46.3 mm -84.88 100.04 7.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.17 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.2 m -91.91 136.66 32.98 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.357 0.598 . . . . 0.0 112.352 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -84.86 156.62 60.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 115.041 -0.981 . . . . 0.0 109.817 178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.88 -24.58 65.2 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.885 2.39 . . . . 0.0 112.927 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 CA--C 1.535 0.368 0 CA-C-N 116.283 -0.417 . . . . 0.0 112.036 -179.616 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 113.673 0.229 . . . . 0.0 113.673 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -52.4 127.85 23.68 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -178.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 62.3 m -110.67 143.37 41.23 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.423 179.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.487 HG23 ' O ' ' A' ' 10' ' ' ILE . 62.0 p -63.08 152.02 38.31 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 120.762 0.315 . . . . 0.0 111.49 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.6 ptmm? -88.04 42.98 1.09 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.76 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 9' ' ' PRO . 53.2 p -144.0 152.04 40.52 Favored 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.763 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.605 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.1 mp -106.95 127.91 27.1 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.785 -0.189 . . . . 0.0 110.918 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.462 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 65.8 Cg_endo -73.58 135.01 38.02 Favored 'Cis proline' 0 C--N 1.352 0.758 0 C-N-CA 123.544 -1.44 . . . . 0.0 112.421 -0.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 17.0 Cg_exo -67.61 127.22 15.99 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.811 2.341 . . . . 0.0 112.88 -179.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.487 ' O ' HG23 ' A' ' 4' ' ' THR . 48.2 mm -93.35 103.29 14.53 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.784 178.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.639 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.1 m -82.6 135.03 35.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.312 0.577 . . . . 0.0 111.612 -179.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -81.93 157.71 68.59 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.546 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.35 -26.91 73.1 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.673 2.249 . . . . 0.0 112.123 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.322 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.548 0 N-CA-C 113.859 0.304 . . . . 0.0 113.859 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 49.7 ttm-85 -49.4 132.56 20.46 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 64.4 m -118.25 140.02 50.44 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.131 179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.1 p -78.72 157.09 28.61 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.909 179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.482 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 2.5 mppt? -85.07 33.16 0.54 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.444 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.3 p -91.69 -171.95 3.06 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.755 0.312 . . . . 0.0 110.776 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 72.9 mt -144.04 107.96 4.97 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.424 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 73.7 Cg_endo -74.43 145.71 84.73 Favored 'Cis proline' 0 C--N 1.348 0.543 0 C-N-CA 123.228 -1.572 . . . . 0.0 112.297 -0.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 50.4 Cg_exo -53.62 131.96 46.56 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.7 2.266 . . . . 0.0 112.274 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.9 mt -94.68 104.82 16.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.361 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.599 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 75.3 m -87.69 136.09 33.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.739 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -80.39 157.77 72.4 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.104 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.8 -26.28 72.92 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.588 2.192 . . . . 0.0 112.119 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.193 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 113.994 0.358 . . . . 0.0 113.994 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -54.5 129.36 35.75 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 61.7 m -109.57 141.45 42.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.408 179.343 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.4 p -69.24 152.65 44.79 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.685 0.278 . . . . 0.0 111.183 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -84.68 33.83 0.53 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.63 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.431 ' O ' HD13 ' A' ' 7' ' ' ILE . 87.4 p -105.28 -177.48 3.38 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.649 -0.25 . . . . 0.0 110.733 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.431 HD13 ' O ' ' A' ' 6' ' ' SER . 42.8 mm -143.34 115.43 5.84 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.798 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 57.3 Cg_endo -70.49 141.13 66.64 Favored 'Cis proline' 0 C--N 1.349 0.605 0 C-N-CA 123.377 -1.51 . . . . 0.0 112.349 -0.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 24.4 Cg_exo -63.56 138.96 67.6 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.964 2.442 . . . . 0.0 112.847 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.557 ' N ' HD12 ' A' ' 10' ' ' ILE . 3.3 mp -103.92 106.13 19.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.669 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 77.5 m -83.07 136.27 34.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.281 0.563 . . . . 0.0 112.006 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -80.06 155.52 74.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.388 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.0 -26.14 80.44 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.511 2.141 . . . . 0.0 111.849 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.042 179.312 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.562 0 N-CA-C 113.732 0.253 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 56.6 mtp85 -52.7 126.62 20.46 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 62.2 m -109.04 140.24 42.84 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.653 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.403 HG23 ' HE1' ' A' ' 12' ' ' PHE . 71.7 p -74.34 154.61 38.79 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.659 0.266 . . . . 0.0 111.048 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 6.5 ttpm? -83.76 33.02 0.47 Allowed 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.841 0.353 . . . . 0.0 111.265 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.437 ' O ' HD13 ' A' ' 7' ' ' ILE . 87.4 p -95.82 -178.12 4.26 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.63 179.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.437 HD13 ' O ' ' A' ' 6' ' ' SER . 44.1 mm -143.2 111.32 5.52 Favored Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.701 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 57.3 Cg_endo -70.46 142.85 73.27 Favored 'Cis proline' 0 C--N 1.349 0.591 0 C-N-CA 123.305 -1.54 . . . . 0.0 112.493 -0.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 31.7 Cg_exo -58.38 136.95 77.78 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.835 2.357 . . . . 0.0 112.405 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.3 mt -101.2 104.96 17.02 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.323 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.671 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.2 m -84.66 136.03 33.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.291 0.567 . . . . 0.0 111.902 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.403 ' HE1' HG23 ' A' ' 4' ' ' THR . 2.4 m-85 -81.49 157.02 70.62 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.557 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.82 -27.02 76.56 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.647 2.231 . . . . 0.0 112.044 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.532 0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.149 179.301 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.495 0 N-CA-C 113.675 0.23 . . . . 0.0 113.675 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.4 mtt-85 -54.18 122.93 11.29 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.683 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 61.3 m -105.38 139.94 39.26 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.542 179.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.9 p -70.36 147.62 49.38 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.561 0.219 . . . . 0.0 110.65 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 51.9 mtpt -82.43 30.42 0.41 Allowed 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.708 ' C ' HD12 ' A' ' 7' ' ' ILE . 84.6 p -104.65 176.23 5.23 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.618 0.247 . . . . 0.0 110.599 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.708 HD12 ' C ' ' A' ' 6' ' ' SER . 3.1 mp -132.12 117.61 15.95 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.514 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 61.2 Cg_endo -72.29 143.07 76.09 Favored 'Cis proline' 0 C--N 1.35 0.645 0 C-N-CA 123.39 -1.504 . . . . 0.0 112.543 -0.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 21.7 Cg_exo -64.0 133.02 36.67 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.77 2.313 . . . . 0.0 112.317 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.0 mt -101.15 103.7 15.23 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.166 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.683 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 81.8 m -81.42 135.03 35.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.261 0.553 . . . . 0.0 111.696 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -80.93 155.83 72.64 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.553 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.58 -27.42 76.81 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.585 2.19 . . . . 0.0 112.054 179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.534 0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.033 179.137 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.66 0 CA-C-O 120.137 -0.257 . . . . 0.0 113.732 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.543 ' C ' ' HD3' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -50.56 130.69 24.48 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.763 0.282 . . . . 0.0 111.753 -178.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 68.5 m -116.32 138.77 51.05 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.534 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 82.4 p -78.96 156.6 28.43 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.595 -0.275 . . . . 0.0 110.776 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -82.93 31.57 0.43 Allowed 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.738 ' C ' HD12 ' A' ' 7' ' ' ILE . 81.6 p -90.45 -179.77 5.67 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 120.631 0.253 . . . . 0.0 110.531 179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.738 HD12 ' C ' ' A' ' 6' ' ' SER . 3.6 mp -138.49 108.91 7.97 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.678 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 62.9 Cg_endo -72.77 145.65 84.49 Favored 'Cis proline' 0 C--N 1.349 0.604 0 C-N-CA 123.29 -1.546 . . . . 0.0 112.408 -0.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 8' ' ' PRO . 52.4 Cg_exo -54.71 133.64 58.28 Favored 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 122.762 2.308 . . . . 0.0 112.375 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 68.6 mt -94.26 103.46 14.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.513 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 73.2 m -88.24 135.72 33.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.17 0.509 . . . . 0.0 111.51 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -83.35 157.87 64.49 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.164 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.87 -25.53 69.84 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.563 2.176 . . . . 0.0 112.137 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 CA--C 1.533 0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.202 179.357 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 114.203 0.441 . . . . 0.0 114.203 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -57.68 131.95 51.8 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 117.12 0.46 . . . . 0.0 112.109 -178.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 11' ' ' CYS . 63.5 m -112.17 142.93 44.03 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.373 179.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 65.1 p -65.9 153.51 41.84 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 120.872 0.368 . . . . 0.0 111.685 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -89.7 43.25 1.14 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.061 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 9' ' ' PRO . 55.1 p -140.71 152.55 45.4 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.783 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.61 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.3 mp -108.57 127.6 27.13 Favored Pre-proline 0 CA--C 1.532 0.283 0 CA-C-N 116.87 -0.15 . . . . 0.0 111.098 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 65.6 Cg_endo -73.56 135.4 39.8 Favored 'Cis proline' 0 C--N 1.352 0.757 0 C-N-CA 123.484 -1.465 . . . . 0.0 112.357 -0.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 6' ' ' SER . 21.6 Cg_exo -65.74 131.7 28.35 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.858 2.372 . . . . 0.0 112.923 -179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 66.2 mt -100.19 104.39 16.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.197 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.684 179.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 72.3 m -83.61 135.48 34.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.28 0.562 . . . . 0.0 111.58 -179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -80.77 155.31 73.3 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.383 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.0 -24.91 67.88 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.515 2.144 . . . . 0.0 111.886 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 CA--C 1.533 0.32 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.234 179.28 . . . . . . . . 0 0 . 1 stop_ save_