data_6ee9_residue ############################ # Computer software used # ############################ 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 6ee9 _Structure_validation_residue.Date_analyzed 2019-08-16 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 ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.96 38.41 3.15 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.256 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . 0.411 ' HD1' ' O ' ' X' ' 20' ' ' PHE . 7.5 m-85 -133.74 163.4 29.54 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 122.693 0.397 . . . . 0.0 111.075 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -99.92 103.63 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 84.2 mtm180 -100.45 99.6 10.24 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.363 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 22.4 mmt180 -148.81 132.85 17.22 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.556 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.37 32.74 33.78 Favored Glycine 0 C--N 1.342 0.876 0 O-C-N 123.549 0.531 . . . . 0.0 112.813 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 82.7 p 62.12 19.78 11.14 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.576 1.151 . . . . 0.0 113.001 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -137.35 145.84 43.82 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.021 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 48.8 t -113.37 121.73 45.24 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.257 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . 0.411 ' O ' ' HD1' ' X' ' 12' ' ' TYR . 38.2 p90 -128.63 160.54 62.27 Favored Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.486 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -82.68 133.63 7.09 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.371 2.047 . . . . 0.0 113.066 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -161.21 -52.49 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.71 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 CA--C 1.542 0.659 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.214 179.544 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.6 m . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.11 41.41 3.76 Favored Glycine 0 C--N 1.336 0.566 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.427 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -132.84 167.61 19.89 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 122.631 0.372 . . . . 0.0 111.258 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 m -102.02 107.31 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.724 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . 0.666 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 93.3 mtt180 -100.11 99.64 10.38 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.514 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -150.3 134.43 17.02 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.48 22.16 62.95 Favored Glycine 0 C--N 1.342 0.877 0 O-C-N 123.598 0.561 . . . . 0.0 113.118 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.15 19.45 6.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.947 0.899 . . . . 0.0 112.01 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -140.81 136.8 32.8 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.961 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . 0.666 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 76.3 m -104.22 121.98 44.42 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.504 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -131.23 163.38 49.75 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.68 131.45 9.28 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.362 2.041 . . . . 0.0 112.825 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -161.85 -52.34 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.755 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 . . . . . 0 CA--C 1.541 0.625 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.229 179.537 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.6 m . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.93 32.2 5.98 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.388 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -135.27 165.73 24.76 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 122.766 0.426 . . . . 0.0 110.883 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 44.3 t -99.85 111.49 29.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . 0.675 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 97.8 mtt180 -99.9 99.54 10.33 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.653 -179.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -150.89 135.45 17.15 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.53 40.5 12.72 Favored Glycine 0 C--N 1.341 0.835 0 CA-C-N 115.977 -0.556 . . . . 0.0 113.03 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 69.8 p 57.73 19.4 5.53 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.669 1.188 . . . . 0.0 113.667 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -156.57 151.08 25.58 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.542 0.337 . . . . 0.0 111.016 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . 0.675 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 21.5 m -100.04 132.98 45.07 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.363 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -128.42 159.53 67.08 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.295 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -79.66 137.39 12.8 Favored 'Trans proline' 0 C--N 1.38 2.184 0 C-N-CA 122.377 2.052 . . . . 0.0 112.962 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -167.24 -49.97 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.455 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 t70 . . . . . 0 CA--C 1.538 0.518 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.875 179.292 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.67 34.27 4.75 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.43 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . 0.463 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 9.7 m-85 -131.91 160.57 35.37 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.675 0.39 . . . . 0.0 111.046 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -100.1 104.08 15.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 84.3 mtm180 -100.31 99.65 10.34 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.397 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 24.5 mmt180 -149.43 136.12 19.46 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.683 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.38 33.03 32.88 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.848 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 81.3 p 62.83 19.57 11.59 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.672 1.189 . . . . 0.0 113.083 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -142.54 144.89 33.13 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.084 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 42.3 t -109.85 123.88 50.35 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.72 0.638 . . . . 0.0 110.144 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . 0.415 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 35.0 p90 -127.97 161.36 56.35 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-O 119.081 -0.485 . . . . 0.0 111.672 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -82.8 133.01 6.67 Favored 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 122.316 2.011 . . . . 0.0 112.943 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -159.83 -52.92 0.06 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.763 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t70 . . . . . 0 CA--C 1.54 0.575 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.222 179.615 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 N--CA 1.468 0.472 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.54 29.47 8.26 Favored Glycine 0 C--N 1.338 0.668 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.746 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -121.69 163.44 19.03 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 122.499 0.32 . . . . 0.0 111.19 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t -99.76 106.48 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . 0.65 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 81.9 mtm180 -99.91 99.81 10.63 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.521 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -148.49 136.62 21.05 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.743 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.52 24.5 58.61 Favored Glycine 0 C--N 1.34 0.802 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.854 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.03 19.63 6.78 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.085 0.954 . . . . 0.0 111.968 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -141.59 148.04 38.61 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.158 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . 0.65 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 62.5 m -108.93 125.13 51.7 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.058 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -129.44 159.71 67.97 Favored Pre-proline 0 CA--C 1.548 0.866 0 O-C-N 123.354 0.408 . . . . 0.0 111.428 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.75 135.38 10.16 Favored 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 122.431 2.087 . . . . 0.0 112.818 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -163.89 -50.68 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.943 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 CA--C 1.536 0.429 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.06 179.517 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . 0.432 ' O ' ' HB3' ' X' ' 23' ' ' ASP . . . 98.21 17.76 28.55 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.546 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . 0.562 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 1.9 m-85 -109.97 166.42 10.95 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.885 0.474 . . . . 0.0 111.113 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' X' ' 19' ' ' CYS . 45.5 t -99.61 130.81 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . 0.534 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 67.8 mtm180 -131.11 110.92 11.53 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.461 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 9.3 mmm180 -145.72 113.72 6.52 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.683 0.278 . . . . 0.0 111.147 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.3 50.22 5.52 Favored Glycine 0 C--N 1.346 1.117 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.342 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 44.8 p 53.29 29.87 9.24 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.988 0.915 . . . . 0.0 111.866 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' X' ' 20' ' ' PHE . 62.5 t80 -135.84 141.56 44.7 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.538 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 42.4 t -128.93 125.75 38.2 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.202 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . 0.484 ' HB3' ' CZ ' ' X' ' 18' ' ' PHE . 35.7 p90 -132.53 162.99 53.81 Favored Pre-proline 0 CA--C 1.548 0.885 0 O-C-N 123.4 0.438 . . . . 0.0 111.69 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.88 134.92 10.98 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 122.423 2.082 . . . . 0.0 112.929 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -165.91 -51.1 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.579 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 8.3 t70 . . . . . 0 CA--C 1.537 0.465 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.893 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 40.9 p . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.65 30.1 7.82 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.358 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -133.55 166.64 22.1 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.821 0.449 . . . . 0.0 110.857 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -99.67 108.74 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . 0.672 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 96.2 mtt180 -99.82 99.45 10.25 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.497 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -151.03 132.77 14.95 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.469 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.57 49.68 5.67 Favored Glycine 0 C--N 1.341 0.849 0 O-C-N 123.549 0.531 . . . . 0.0 112.887 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 13.0 t 50.06 19.42 0.48 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.001 1.32 . . . . 0.0 114.507 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -157.34 148.43 21.65 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.568 0.347 . . . . 0.0 110.984 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . 0.672 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 15.0 m -100.25 136.21 40.5 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.461 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -129.7 160.08 66.5 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-O 119.157 -0.449 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.88 134.98 8.61 Favored 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 122.245 1.963 . . . . 0.0 113.296 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -164.31 -51.69 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.676 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 t70 . . . . . 0 CA--C 1.539 0.531 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.226 179.514 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.74 37.8 3.36 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.386 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . 0.45 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 6.1 m-85 -132.0 162.2 31.31 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 122.738 0.415 . . . . 0.0 111.113 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.94 106.55 19.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . 0.499 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 98.7 mtt180 -101.43 99.72 10.09 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.396 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 22.3 mmt180 -148.47 134.26 18.94 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.736 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.34 31.55 37.47 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.812 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 73.5 p 63.45 19.71 11.84 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.59 1.156 . . . . 0.0 112.782 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -138.65 149.19 44.92 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.988 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 49.0 t -113.81 121.46 44.08 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.085 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -126.7 160.35 59.11 Favored Pre-proline 0 CA--C 1.548 0.904 0 CA-C-O 119.189 -0.434 . . . . 0.0 111.524 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -82.64 133.92 7.27 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 122.222 1.948 . . . . 0.0 113.027 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -161.27 -52.57 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.723 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 . . . . . 0 CA--C 1.54 0.586 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.252 179.538 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 42.5 p . . . . . 0 N--CA 1.47 0.554 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.31 40.97 3.82 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.451 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . 0.404 ' HD2' ' O ' ' X' ' 20' ' ' PHE . 6.8 m-85 -135.1 163.38 30.05 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.606 0.362 . . . . 0.0 111.446 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.92 105.88 18.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . 0.66 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 86.9 mtt180 -99.98 99.66 10.44 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.514 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -150.16 133.1 16.09 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.776 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 22.59 62.18 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 116.002 -0.544 . . . . 0.0 113.174 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 69.99 19.6 6.84 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.893 0.877 . . . . 0.0 112.002 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -138.76 133.69 32.51 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.133 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . 0.66 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 84.0 m -103.21 123.96 47.71 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.323 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . 0.404 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 37.6 p90 -129.6 159.85 67.49 Favored Pre-proline 0 CA--C 1.548 0.869 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.58 135.05 11.41 Favored 'Trans proline' 0 C--N 1.382 2.296 0 C-N-CA 122.272 1.982 . . . . 0.0 112.925 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -164.7 -50.29 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.174 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 CA--C 1.54 0.595 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.263 179.806 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 120.616 0.246 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.27 41.68 2.74 Favored Glycine 0 C--N 1.336 0.579 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.594 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -137.52 160.15 39.94 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 122.383 0.273 . . . . 0.0 111.204 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 57.9 t -99.86 111.69 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . 0.675 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 94.3 mtt180 -100.0 99.77 10.57 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.529 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -149.38 136.57 19.9 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.78 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.35 22.98 61.62 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.873 -0.603 . . . . 0.0 113.054 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.24 19.52 6.56 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.084 0.954 . . . . 0.0 111.901 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -144.96 144.74 31.21 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.945 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . 0.675 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 80.3 m -102.35 125.43 49.06 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.207 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -127.62 158.73 69.11 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-O 119.111 -0.471 . . . . 0.0 111.353 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -79.32 135.66 12.14 Favored 'Trans proline' 0 C--N 1.38 2.199 0 C-N-CA 122.244 1.963 . . . . 0.0 112.733 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -164.83 -50.24 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.605 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.3 t70 . . . . . 0 CA--C 1.54 0.564 0 O-C-N 123.642 0.589 . . . . 0.0 111.089 179.354 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.66 14.77 39.44 Favored Glycine 0 CA--C 1.523 0.584 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.514 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . 0.491 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 1.8 m-85 -106.87 167.22 10.03 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 122.743 0.417 . . . . 0.0 111.115 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 m -108.25 112.1 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . 0.515 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 79.3 mtp180 -103.57 99.62 9.44 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.348 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 23.5 mmt180 -149.5 135.76 19.07 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.801 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.42 24.76 58.37 Favored Glycine 0 C--N 1.342 0.863 0 CA-C-N 115.918 -0.583 . . . . 0.0 113.001 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.15 19.51 6.67 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.078 0.951 . . . . 0.0 111.976 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -141.87 146.97 36.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.082 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . 0.491 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 47.8 t -113.12 118.2 34.08 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.268 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -127.7 163.55 42.3 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.22 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -79.17 130.95 9.53 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.407 2.071 . . . . 0.0 112.878 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -161.2 -52.65 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.788 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 CA--C 1.539 0.534 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.216 179.566 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 13.9 t . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . 0.476 ' O ' ' HB3' ' X' ' 23' ' ' ASP . . . 109.19 6.47 29.61 Favored Glycine 0 C--N 1.336 0.571 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.555 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . 0.416 ' HD2' ' O ' ' X' ' 20' ' ' PHE . 7.5 m-85 -103.72 165.94 10.73 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 122.818 0.447 . . . . 0.0 111.17 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 59.9 t -99.84 102.9 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -100.37 99.58 10.24 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.438 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -149.88 132.18 15.53 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.628 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.39 32.75 33.68 Favored Glycine 0 C--N 1.343 0.959 0 O-C-N 123.601 0.563 . . . . 0.0 112.847 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 80.9 p 61.96 19.67 10.91 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.561 1.144 . . . . 0.0 112.935 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -136.78 146.35 45.62 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.939 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 45.4 t -115.0 123.12 48.27 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.189 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . 0.416 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 39.7 p90 -129.58 160.29 65.29 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-O 119.194 -0.432 . . . . 0.0 111.381 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -82.32 134.89 8.06 Favored 'Trans proline' 0 C--N 1.381 2.275 0 C-N-CA 122.392 2.062 . . . . 0.0 113.094 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -162.91 -52.22 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.626 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 7.6 t70 . . . . . 0 CA--C 1.536 0.433 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.989 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 52.8 m . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.6 34.9 4.82 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.292 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . 0.616 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 1.3 m-85 -130.2 166.45 20.24 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 122.64 0.376 . . . . 0.0 110.961 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 6.7 m -112.52 115.65 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.183 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . 0.552 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 98.6 mtt180 -100.17 99.24 9.91 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.342 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 25.1 mmt180 -152.47 135.49 15.64 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 50.0 5.57 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.987 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 13.4 t 49.85 19.39 0.43 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.924 1.289 . . . . 0.0 114.448 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -160.8 148.74 15.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.72 0.408 . . . . 0.0 110.923 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . 0.616 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 34.3 t -100.17 129.07 46.15 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.499 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -128.8 163.45 45.2 Favored Pre-proline 0 CA--C 1.55 0.957 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.373 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -80.52 132.17 8.81 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.471 2.114 . . . . 0.0 112.813 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -161.26 -52.35 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.753 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 CA--C 1.543 0.679 0 O-C-N 123.591 0.557 . . . . 0.0 111.19 179.544 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 43.8 p . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.9 44.56 3.07 Favored Glycine 0 C--N 1.338 0.688 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.293 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -135.01 162.92 31.09 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 122.529 0.332 . . . . 0.0 111.432 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 58.0 t -99.83 107.6 21.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . 0.649 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 97.2 mtt180 -99.99 99.78 10.58 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.547 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -149.03 130.45 14.75 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.584 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.42 32.28 34.98 Favored Glycine 0 C--N 1.342 0.914 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.784 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 74.0 p 61.65 19.72 10.7 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.579 1.152 . . . . 0.0 112.945 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -137.05 147.21 46.02 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.009 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . 0.649 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 71.3 m -112.89 122.79 48.7 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.392 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -127.96 158.78 69.62 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-O 119.139 -0.457 . . . . 0.0 111.171 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -80.59 133.63 9.49 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 122.276 1.984 . . . . 0.0 113.024 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -162.33 -51.87 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.805 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 CA--C 1.54 0.594 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.399 179.64 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 120.571 0.224 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . 0.511 ' O ' ' HB3' ' X' ' 23' ' ' ASP . . . 108.72 4.08 32.09 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.927 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -110.57 158.39 18.61 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 122.401 0.28 . . . . 0.0 111.253 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 47.7 t -99.99 115.88 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.555 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . 0.67 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 70.9 mtt180 -99.92 99.42 10.19 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.433 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' X' ' 14' ' ' ARG . 97.2 mtt180 -151.87 136.57 17.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.796 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.34 41.18 11.97 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.075 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 64.3 p 56.66 19.34 4.23 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.597 1.159 . . . . 0.0 113.538 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -157.88 150.37 22.52 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.712 0.405 . . . . 0.0 110.875 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . 0.67 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 57.9 m -100.0 131.96 45.64 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.509 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -125.71 160.34 56.63 Favored Pre-proline 0 CA--C 1.549 0.908 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.241 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -80.11 134.47 10.47 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.283 1.989 . . . . 0.0 112.975 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -163.8 -51.4 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.751 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . 0.511 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 7.2 t70 . . . . . 0 CA--C 1.537 0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.077 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.47 0.536 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.03 24.03 16.02 Favored Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.475 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -131.32 168.7 17.1 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 122.824 0.45 . . . . 0.0 110.916 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 m -102.83 110.46 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 123.141 0.275 . . . . 0.0 110.482 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . 0.646 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 72.0 mtp180 -99.83 99.67 10.49 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.705 -179.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -149.67 134.69 17.97 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 34.81 27.81 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.891 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 67.3 p 60.76 19.48 9.6 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.753 1.221 . . . . 0.0 113.405 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -148.92 145.15 27.28 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.426 0.29 . . . . 0.0 111.148 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . 0.646 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 35.0 m -101.4 124.36 46.94 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.219 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -128.68 163.51 44.59 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-O 119.179 -0.438 . . . . 0.0 111.252 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -80.88 133.08 8.93 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 122.412 2.075 . . . . 0.0 112.879 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -163.4 -51.72 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.527 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 CA--C 1.543 0.692 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.061 179.312 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 46.0 p . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.39 38.05 3.86 Favored Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.261 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . 0.474 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 5.4 m-85 -133.57 162.16 32.66 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.688 0.395 . . . . 0.0 111.141 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -99.85 105.64 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 79.4 mtp180 -102.73 99.61 9.59 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.4 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 22.7 mmt180 -149.47 131.12 14.95 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.511 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.37 31.86 36.42 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.893 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 78.8 p 61.85 19.78 10.91 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.574 1.149 . . . . 0.0 112.966 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -137.02 135.12 37.3 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.005 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . 0.474 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 49.8 t -106.83 122.7 46.9 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.316 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . 0.404 ' O ' ' HD1' ' X' ' 12' ' ' TYR . 35.1 p90 -130.63 161.18 62.51 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-O 119.124 -0.465 . . . . 0.0 111.509 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -80.91 134.12 9.36 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 122.408 2.072 . . . . 0.0 112.887 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -162.94 -51.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.852 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 CA--C 1.541 0.634 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.418 179.761 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.47 0.528 0 CA-C-O 120.574 0.226 . . . . 0.0 111.467 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.59 34.37 5.81 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.442 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -133.11 167.2 20.76 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.714 0.406 . . . . 0.0 111.091 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.52 105.87 18.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -99.92 99.71 10.51 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.589 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -149.74 131.42 14.96 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.786 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.41 26.63 54.19 Favored Glycine 0 C--N 1.343 0.938 0 CA-C-N 116.056 -0.52 . . . . 0.0 113.186 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.11 19.58 6.7 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.026 0.93 . . . . 0.0 111.866 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -142.31 151.54 42.08 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.925 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 26.8 p -121.73 121.62 37.69 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.43 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -121.71 161.25 42.9 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.121 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -78.6 134.58 12.41 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.331 2.021 . . . . 0.0 112.886 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -166.67 -49.94 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.804 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 . . . . . 0 CA--C 1.538 0.49 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.153 179.396 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 43.1 p . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.34 31.15 6.96 Favored Glycine 0 C--N 1.339 0.706 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.384 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -135.45 161.62 34.95 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 122.835 0.454 . . . . 0.0 111.068 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 37.8 t -99.97 114.27 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . 0.66 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 93.5 mtt180 -99.97 99.43 10.19 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.626 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 12.8 mmm180 -150.82 135.17 17.0 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.615 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.51 40.17 13.42 Favored Glycine 0 C--N 1.341 0.838 0 O-C-N 123.611 0.569 . . . . 0.0 113.006 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 64.4 p 57.48 19.31 5.14 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 124.594 1.158 . . . . 0.0 113.597 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -156.42 149.32 23.98 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.564 0.346 . . . . 0.0 110.727 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . 0.66 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 29.6 m -100.03 128.95 46.04 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.58 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -119.25 159.88 43.62 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-O 119.073 -0.489 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -79.52 135.95 12.07 Favored 'Trans proline' 0 C--N 1.38 2.194 0 C-N-CA 122.197 1.932 . . . . 0.0 113.252 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -167.39 -50.31 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.819 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 CA--C 1.541 0.622 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.954 179.754 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 120.632 0.253 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' X' X ' 11' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' X' ' 23' ' ' ASP . . . 94.83 16.28 42.53 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.885 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -109.54 163.65 13.25 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 122.604 0.362 . . . . 0.0 111.158 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.88 112.39 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 14' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' X' ' 15' ' ' ARG . 62.2 mtp180 -99.88 99.38 10.15 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.498 -179.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 15' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' X' ' 14' ' ' ARG . 97.2 mtt180 -151.6 135.96 16.83 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.685 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.48 42.57 10.13 Favored Glycine 0 C--N 1.341 0.83 0 O-C-N 123.613 0.571 . . . . 0.0 113.094 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 62.1 p 56.22 19.28 3.77 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.467 1.107 . . . . 0.0 113.761 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -159.5 148.84 18.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.825 0.45 . . . . 0.0 110.912 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 26.7 p -100.03 134.65 42.63 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.696 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -125.97 161.12 53.32 Favored Pre-proline 0 CA--C 1.55 0.953 0 O-C-N 123.495 0.497 . . . . 0.0 111.114 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.02 135.16 10.95 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 122.326 2.018 . . . . 0.0 112.876 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -164.94 -51.3 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.773 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 23' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 7.8 t70 . . . . . 0 CA--C 1.537 0.444 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.912 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.486 0.184 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.69 158.32 27.31 Favored Glycine 0 C--N 1.336 0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.555 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -129.2 120.38 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 O-C-N 123.555 0.209 . . . . 0.0 111.293 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -121.18 137.92 54.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.798 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.41 119.47 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.232 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -157.86 160.8 31.01 Favored Glycine 0 C--N 1.337 0.627 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.649 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 19.5 p -98.84 -44.38 6.39 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 122.284 0.234 . . . . 0.0 111.421 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 24.6 p -109.6 148.96 39.21 Favored Pre-proline 0 CA--C 1.537 0.449 0 O-C-N 123.551 0.532 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.18 165.86 20.69 Favored 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 122.836 2.357 . . . . 0.0 113.127 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 13.8 t -61.34 139.26 58.21 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.825 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.96 38.41 3.15 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.256 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . 0.411 ' HD1' ' O ' ' X' ' 20' ' ' PHE . 7.5 m-85 -133.74 163.4 29.54 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 122.693 0.397 . . . . 0.0 111.075 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -99.92 103.63 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . 0.503 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 84.2 mtm180 -100.45 99.6 10.24 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.363 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 22.4 mmt180 -148.81 132.85 17.22 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.556 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.37 32.74 33.78 Favored Glycine 0 C--N 1.342 0.876 0 O-C-N 123.549 0.531 . . . . 0.0 112.813 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 82.7 p 62.12 19.78 11.14 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.576 1.151 . . . . 0.0 113.001 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -137.35 145.84 43.82 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.021 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 48.8 t -113.37 121.73 45.24 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.257 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . 0.411 ' O ' ' HD1' ' X' ' 12' ' ' TYR . 38.2 p90 -128.63 160.54 62.27 Favored Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.486 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -82.68 133.63 7.09 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.371 2.047 . . . . 0.0 113.066 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -161.21 -52.49 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.71 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -90.94 -4.96 56.08 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.214 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -95.17 -42.54 8.52 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 123.281 0.363 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.536 -0.745 . . . . 0.0 110.834 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.528 0.204 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.12 147.78 18.7 Favored Glycine 0 C--N 1.336 0.575 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.559 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.59 133.26 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 O-C-N 123.675 0.279 . . . . 0.0 111.306 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -129.26 141.29 51.16 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.668 0.605 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 t 64.46 123.35 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.821 0.848 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.35 86.95 1.94 Allowed Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.561 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 20.0 p -111.58 -49.66 2.98 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 122.27 0.228 . . . . 0.0 111.429 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 57.0 m -95.0 149.01 35.62 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . 0.441 ' HG2' ' CD2' ' X' ' 12' ' ' TYR . 37.1 Cg_endo -66.21 165.56 23.99 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.684 2.256 . . . . 0.0 113.148 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.6 m -78.66 130.6 36.05 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.629 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.11 41.41 3.76 Favored Glycine 0 C--N 1.336 0.566 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.427 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . 0.441 ' CD2' ' HG2' ' X' ' 9' ' ' PRO . 2.6 m-85 -132.84 167.61 19.89 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 122.631 0.372 . . . . 0.0 111.258 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 m -102.02 107.31 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.724 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . 0.666 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 93.3 mtt180 -100.11 99.64 10.38 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.514 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -150.3 134.43 17.02 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.48 22.16 62.95 Favored Glycine 0 C--N 1.342 0.877 0 O-C-N 123.598 0.561 . . . . 0.0 113.118 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.15 19.45 6.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.947 0.899 . . . . 0.0 112.01 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -140.81 136.8 32.8 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.961 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . 0.666 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 76.3 m -104.22 121.98 44.42 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.504 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -131.23 163.38 49.75 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.68 131.45 9.28 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.362 2.041 . . . . 0.0 112.825 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -161.85 -52.34 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.755 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -91.95 -3.81 55.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.229 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -95.47 -43.4 8.0 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.208 0.317 . . . . 0.0 110.966 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 . . . . . 0 C--O 1.252 1.195 0 CA-C-O 118.526 -0.75 . . . . 0.0 110.881 179.88 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.427 0.156 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -108.62 -59.5 0.54 Allowed Glycine 0 C--N 1.336 0.557 0 O-C-N 123.658 0.599 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -134.68 145.91 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 123.596 0.233 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -115.55 138.24 51.25 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.44 -39.89 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.6 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.64 125.13 8.33 Favored Glycine 0 C--N 1.337 0.596 0 O-C-N 123.564 0.54 . . . . 0.0 112.504 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 7.3 t -137.51 134.46 35.74 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.292 0.237 . . . . 0.0 110.944 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 24.4 p -127.53 149.69 70.81 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.1 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.67 165.62 20.19 Favored 'Trans proline' 0 C--N 1.372 1.799 0 C-N-CA 122.977 2.451 . . . . 0.0 113.238 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.6 m -70.24 142.7 52.32 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.764 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.93 32.2 5.98 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.388 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -135.27 165.73 24.76 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 122.766 0.426 . . . . 0.0 110.883 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 44.3 t -99.85 111.49 29.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . 0.675 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 97.8 mtt180 -99.9 99.54 10.33 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.653 -179.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -150.89 135.45 17.15 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.53 40.5 12.72 Favored Glycine 0 C--N 1.341 0.835 0 CA-C-N 115.977 -0.556 . . . . 0.0 113.03 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 69.8 p 57.73 19.4 5.53 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.669 1.188 . . . . 0.0 113.667 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -156.57 151.08 25.58 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.542 0.337 . . . . 0.0 111.016 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . 0.675 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 21.5 m -100.04 132.98 45.07 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.363 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -128.42 159.53 67.08 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.295 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -79.66 137.39 12.8 Favored 'Trans proline' 0 C--N 1.38 2.184 0 C-N-CA 122.377 2.052 . . . . 0.0 112.962 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . 0.442 ' HA ' ' OH ' ' X' ' 25' ' ' TYR . 10.7 t70 -167.24 -49.97 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.455 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -85.6 -29.33 24.18 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.875 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -142.98 112.08 6.59 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 123.345 0.403 . . . . 0.0 110.561 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.442 ' OH ' ' HA ' ' X' ' 22' ' ' ASP . 89.1 m-85 . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.433 -0.794 . . . . 0.0 110.813 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.288 0.089 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -127.82 -55.29 0.12 Allowed Glycine 0 C--N 1.34 0.766 0 O-C-N 123.497 0.498 . . . . 0.0 112.515 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.99 152.18 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 122.288 0.235 . . . . 0.0 111.398 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -97.09 -43.69 7.3 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.485 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 4.9 m -133.27 119.54 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 123.388 0.43 . . . . 0.0 111.274 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.75 162.55 9.58 Favored Glycine 0 C--N 1.338 0.643 0 O-C-N 123.687 0.617 . . . . 0.0 112.615 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -98.56 -44.28 6.52 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 122.295 0.238 . . . . 0.0 111.436 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 22.4 p -110.02 150.03 40.86 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.044 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.52 165.85 14.65 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 122.957 2.438 . . . . 0.0 113.178 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 13.5 t -62.51 139.74 58.6 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.806 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.67 34.27 4.75 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.43 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . 0.463 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 9.7 m-85 -131.91 160.57 35.37 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.675 0.39 . . . . 0.0 111.046 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -100.1 104.08 15.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . 0.518 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 84.3 mtm180 -100.31 99.65 10.34 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.397 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 24.5 mmt180 -149.43 136.12 19.46 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.683 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.38 33.03 32.88 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.848 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 81.3 p 62.83 19.57 11.59 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.672 1.189 . . . . 0.0 113.083 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -142.54 144.89 33.13 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.084 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . 0.463 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 42.3 t -109.85 123.88 50.35 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.72 0.638 . . . . 0.0 110.144 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . 0.415 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 35.0 p90 -127.97 161.36 56.35 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-O 119.081 -0.485 . . . . 0.0 111.672 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -82.8 133.01 6.67 Favored 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 122.316 2.011 . . . . 0.0 112.943 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -159.83 -52.92 0.06 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.763 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.19 -6.31 53.63 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.222 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -97.79 -42.45 7.58 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 123.205 0.316 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 t80 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.452 -0.785 . . . . 0.0 110.534 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.556 0.217 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.86 149.83 6.45 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.508 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.3 119.92 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 O-C-N 123.655 0.268 . . . . 0.0 111.282 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -104.39 146.4 28.89 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.685 0.616 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 p -108.49 143.73 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.609 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.53 135.87 2.45 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.4 p -98.3 147.21 24.89 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.661 0.271 . . . . 0.0 111.181 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 64.2 m -90.47 149.24 40.57 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.165 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . 0.511 ' HG2' ' CD1' ' X' ' 12' ' ' TYR . 36.4 Cg_endo -65.34 165.53 22.05 Favored 'Trans proline' 0 C--N 1.371 1.757 0 C-N-CA 122.671 2.247 . . . . 0.0 113.084 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 55.7 m -80.05 134.65 36.22 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.672 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . 0.547 ' O ' ' HB2' ' X' ' 24' ' ' ASP . . . 96.54 29.47 8.26 Favored Glycine 0 C--N 1.338 0.668 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.746 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . 0.511 ' CD1' ' HG2' ' X' ' 9' ' ' PRO . 5.0 m-85 -121.69 163.44 19.03 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 122.499 0.32 . . . . 0.0 111.19 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t -99.76 106.48 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . 0.65 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 81.9 mtm180 -99.91 99.81 10.63 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.521 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -148.49 136.62 21.05 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.743 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.52 24.5 58.61 Favored Glycine 0 C--N 1.34 0.802 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.854 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.03 19.63 6.78 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.085 0.954 . . . . 0.0 111.968 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -141.59 148.04 38.61 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.158 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . 0.65 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 62.5 m -108.93 125.13 51.7 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.058 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -129.44 159.71 67.97 Favored Pre-proline 0 CA--C 1.548 0.866 0 O-C-N 123.354 0.408 . . . . 0.0 111.428 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.75 135.38 10.16 Favored 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 122.431 2.087 . . . . 0.0 112.818 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -163.89 -50.68 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.943 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -90.91 -12.92 34.64 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.06 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . 0.547 ' HB2' ' O ' ' X' ' 11' ' ' GLY . 4.3 t70 -128.67 102.82 6.75 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 123.363 0.414 . . . . 0.0 110.237 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.985 179.808 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 10.1 t80 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.339 0.114 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.42 149.95 21.89 Favored Glycine 0 C--N 1.34 0.796 0 O-C-N 123.414 0.446 . . . . 0.0 112.492 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 m -134.36 134.94 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 123.658 0.27 . . . . 0.0 111.307 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -129.35 149.62 51.06 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.24 -39.3 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.799 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.53 -103.35 2.23 Favored Glycine 0 C--N 1.337 0.597 0 O-C-N 123.588 0.555 . . . . 0.0 112.598 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -98.79 151.6 20.61 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 122.331 0.252 . . . . 0.0 111.216 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 p -99.4 148.96 35.39 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.6 165.8 21.82 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.806 2.337 . . . . 0.0 113.184 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 14.6 t -61.07 141.29 57.52 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.935 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . 0.499 ' O ' ' HB2' ' X' ' 24' ' ' ASP . . . 98.21 17.76 28.55 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.546 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . 0.562 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 1.9 m-85 -109.97 166.42 10.95 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.885 0.474 . . . . 0.0 111.113 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' X' ' 19' ' ' CYS . 45.5 t -99.61 130.81 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . 0.534 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 67.8 mtm180 -131.11 110.92 11.53 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.461 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 9.3 mmm180 -145.72 113.72 6.52 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.683 0.278 . . . . 0.0 111.147 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.3 50.22 5.52 Favored Glycine 0 C--N 1.346 1.117 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.342 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 44.8 p 53.29 29.87 9.24 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.988 0.915 . . . . 0.0 111.866 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' X' ' 20' ' ' PHE . 62.5 t80 -135.84 141.56 44.7 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.538 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 42.4 t -128.93 125.75 38.2 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.202 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . 0.484 ' HB3' ' CZ ' ' X' ' 18' ' ' PHE . 35.7 p90 -132.53 162.99 53.81 Favored Pre-proline 0 CA--C 1.548 0.885 0 O-C-N 123.4 0.438 . . . . 0.0 111.69 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.88 134.92 10.98 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 122.423 2.082 . . . . 0.0 112.929 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -165.91 -51.1 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.579 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . 0.432 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 8.3 t70 -91.45 -19.96 22.27 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.893 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . 0.499 ' HB2' ' O ' ' X' ' 11' ' ' GLY . 4.5 t70 -131.9 107.3 8.63 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 123.34 0.4 . . . . 0.0 110.18 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 8.6 t80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.106 -0.95 . . . . 0.0 110.524 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 111.244 0.09 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.77 148.97 5.71 Favored Glycine 0 C--N 1.34 0.756 0 O-C-N 123.5 0.5 . . . . 0.0 112.55 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.12 135.52 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 O-C-N 123.645 0.262 . . . . 0.0 111.259 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.32 149.85 50.93 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -131.23 -39.78 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.761 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 118.95 95.55 1.66 Allowed Glycine 0 C--N 1.338 0.662 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.598 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.4 p -139.49 133.16 30.51 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.704 0.296 . . . . 0.0 110.942 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . 0.439 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 25.0 p -99.67 148.79 35.22 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.141 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.51 165.7 24.26 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.877 2.385 . . . . 0.0 113.309 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 40.9 p -70.21 145.87 51.11 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.743 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.65 30.1 7.82 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.358 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -133.55 166.64 22.1 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.821 0.449 . . . . 0.0 110.857 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -99.67 108.74 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . 0.672 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 96.2 mtt180 -99.82 99.45 10.25 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.497 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -151.03 132.77 14.95 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.469 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.57 49.68 5.67 Favored Glycine 0 C--N 1.341 0.849 0 O-C-N 123.549 0.531 . . . . 0.0 112.887 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 13.0 t 50.06 19.42 0.48 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.001 1.32 . . . . 0.0 114.507 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -157.34 148.43 21.65 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.568 0.347 . . . . 0.0 110.984 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . 0.672 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 15.0 m -100.25 136.21 40.5 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.461 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -129.7 160.08 66.5 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-O 119.157 -0.449 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.88 134.98 8.61 Favored 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 122.245 1.963 . . . . 0.0 113.296 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -164.31 -51.69 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.676 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -92.39 -12.05 33.26 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.226 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -99.97 -43.82 6.25 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.202 0.314 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.819 179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 120.257 0.075 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.56 83.03 0.07 OUTLIER Glycine 0 C--N 1.34 0.779 0 O-C-N 123.476 0.485 . . . . 0.0 112.475 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 m -136.46 135.73 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 O-C-N 123.613 0.243 . . . . 0.0 111.235 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -108.24 128.29 54.59 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.43 -39.92 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.78 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.79 123.56 3.36 Favored Glycine 0 C--N 1.338 0.639 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.516 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -100.59 -43.7 6.09 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.644 0.261 . . . . 0.0 111.418 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.98 149.15 37.72 Favored Pre-proline 0 CA--C 1.538 0.497 0 O-C-N 123.523 0.515 . . . . 0.0 110.939 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -64.82 165.84 19.93 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.848 2.365 . . . . 0.0 113.246 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.7 m -60.95 137.94 58.2 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.09 0.556 . . . . 0.0 112.041 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.74 37.8 3.36 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.386 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . 0.45 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 6.1 m-85 -132.0 162.2 31.31 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 122.738 0.415 . . . . 0.0 111.113 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.94 106.55 19.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . 0.499 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 98.7 mtt180 -101.43 99.72 10.09 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.396 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 22.3 mmt180 -148.47 134.26 18.94 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.736 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.34 31.55 37.47 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.812 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 73.5 p 63.45 19.71 11.84 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.59 1.156 . . . . 0.0 112.782 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -138.65 149.19 44.92 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.988 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 49.0 t -113.81 121.46 44.08 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.085 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -126.7 160.35 59.11 Favored Pre-proline 0 CA--C 1.548 0.904 0 CA-C-O 119.189 -0.434 . . . . 0.0 111.524 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -82.64 133.92 7.27 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 122.222 1.948 . . . . 0.0 113.027 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -161.27 -52.57 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.723 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -91.78 -7.08 50.6 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.252 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -98.13 -42.08 7.62 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.216 0.323 . . . . 0.0 111.052 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.392 -0.813 . . . . 0.0 110.904 179.871 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.455 0.169 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.69 78.29 0.03 OUTLIER Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.439 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 m -132.65 134.51 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 122.298 0.239 . . . . 0.0 111.262 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -128.33 -40.83 1.6 Allowed 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.706 0.629 . . . . 0.0 111.28 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 8.2 t 63.5 115.59 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 123.734 0.814 . . . . 0.0 110.992 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.71 -55.42 0.04 OUTLIER Glycine 0 C--N 1.338 0.648 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.7 p -136.91 140.5 42.34 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.612 0.242 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 73.0 m -91.89 149.97 39.87 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.222 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . 0.438 ' HG2' ' CD1' ' X' ' 12' ' ' TYR . 36.3 Cg_endo -65.55 165.59 22.37 Favored 'Trans proline' 0 C--N 1.373 1.83 0 C-N-CA 122.637 2.225 . . . . 0.0 113.063 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 42.5 p -77.71 132.97 38.4 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.69 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . 0.441 ' O ' ' HB3' ' X' ' 24' ' ' ASP . . . 96.31 40.97 3.82 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.451 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . 0.438 ' CD1' ' HG2' ' X' ' 9' ' ' PRO . 6.8 m-85 -135.1 163.38 30.05 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.606 0.362 . . . . 0.0 111.446 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.92 105.88 18.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . 0.66 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 86.9 mtt180 -99.98 99.66 10.44 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.514 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -150.16 133.1 16.09 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.776 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 22.59 62.18 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 116.002 -0.544 . . . . 0.0 113.174 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 69.99 19.6 6.84 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.893 0.877 . . . . 0.0 112.002 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -138.76 133.69 32.51 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.133 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . 0.66 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 84.0 m -103.21 123.96 47.71 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.323 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . 0.404 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 37.6 p90 -129.6 159.85 67.49 Favored Pre-proline 0 CA--C 1.548 0.869 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . 0.502 ' HA ' ' OD2' ' X' ' 24' ' ' ASP . 6.3 Cg_exo -79.58 135.05 11.41 Favored 'Trans proline' 0 C--N 1.382 2.296 0 C-N-CA 122.272 1.982 . . . . 0.0 112.925 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -164.7 -50.29 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.174 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -92.44 -5.61 51.62 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.263 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . 0.502 ' OD2' ' HA ' ' X' ' 21' ' ' PRO . 4.3 p-10 -97.15 92.18 5.91 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.185 0.517 . . . . 0.0 111.241 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.786 179.451 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.581 0.229 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.69 93.88 0.14 Allowed Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.532 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.32 120.92 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 O-C-N 123.637 0.257 . . . . 0.0 111.295 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -100.32 138.92 36.73 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.828 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 8.1 t 63.28 114.09 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 123.745 0.818 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.28 -71.13 0.04 OUTLIER Glycine 0 C--N 1.339 0.709 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.526 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 19.6 p -134.99 120.07 18.72 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.659 0.27 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 87.6 m -95.52 151.33 38.49 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.71 165.49 18.23 Favored 'Trans proline' 0 C--N 1.372 1.796 0 C-N-CA 122.693 2.262 . . . . 0.0 113.109 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 15.6 t -76.99 128.96 35.46 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.541 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.27 41.68 2.74 Favored Glycine 0 C--N 1.336 0.579 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.594 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -137.52 160.15 39.94 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 122.383 0.273 . . . . 0.0 111.204 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 57.9 t -99.86 111.69 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . 0.675 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 94.3 mtt180 -100.0 99.77 10.57 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.529 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -149.38 136.57 19.9 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.78 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.35 22.98 61.62 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.873 -0.603 . . . . 0.0 113.054 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.24 19.52 6.56 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.084 0.954 . . . . 0.0 111.901 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -144.96 144.74 31.21 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.945 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . 0.675 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 80.3 m -102.35 125.43 49.06 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.207 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -127.62 158.73 69.11 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-O 119.111 -0.471 . . . . 0.0 111.353 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -79.32 135.66 12.14 Favored 'Trans proline' 0 C--N 1.38 2.199 0 C-N-CA 122.244 1.963 . . . . 0.0 112.733 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -164.83 -50.24 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.605 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.91 -26.29 34.23 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.642 0.589 . . . . 0.0 111.089 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -140.43 107.15 5.36 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.624 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 10.9 t80 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.546 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.511 0.196 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.12 -160.3 9.43 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.667 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.86 153.76 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 123.585 0.226 . . . . 0.0 111.319 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -127.32 -6.26 5.93 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.455 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 m -117.57 118.88 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.449 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.6 48.93 0.33 Allowed Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.53 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 19.8 p -140.16 164.67 29.44 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.753 0.325 . . . . 0.0 111.015 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 13.6 p -85.91 149.54 50.88 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -63.06 165.83 15.85 Favored 'Trans proline' 0 C--N 1.375 1.922 0 C-N-CA 123.035 2.49 . . . . 0.0 113.354 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.5 m -62.99 144.13 57.14 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.969 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.66 14.77 39.44 Favored Glycine 0 CA--C 1.523 0.584 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.514 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . 0.491 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 1.8 m-85 -106.87 167.22 10.03 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 122.743 0.417 . . . . 0.0 111.115 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 m -108.25 112.1 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . 0.515 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 79.3 mtp180 -103.57 99.62 9.44 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.348 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 23.5 mmt180 -149.5 135.76 19.07 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.801 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.42 24.76 58.37 Favored Glycine 0 C--N 1.342 0.863 0 CA-C-N 115.918 -0.583 . . . . 0.0 113.001 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.15 19.51 6.67 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.078 0.951 . . . . 0.0 111.976 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -141.87 146.97 36.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.082 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . 0.491 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 47.8 t -113.12 118.2 34.08 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.268 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -127.7 163.55 42.3 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.22 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -79.17 130.95 9.53 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.407 2.071 . . . . 0.0 112.878 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -161.2 -52.65 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.788 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -94.1 -7.14 43.35 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.216 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.9 -43.3 7.89 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.146 0.279 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.548 -0.739 . . . . 0.0 110.832 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.316 0.103 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.94 152.17 24.23 Favored Glycine 0 C--N 1.34 0.802 0 O-C-N 123.499 0.5 . . . . 0.0 112.591 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.3 122.88 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 122.279 0.231 . . . . 0.0 111.301 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -128.45 -34.12 2.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.477 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 m -117.35 127.2 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 123.44 0.462 . . . . 0.0 111.267 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.96 54.7 0.12 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.533 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -98.77 -31.81 11.69 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.739 0.317 . . . . 0.0 111.753 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 24.7 p -90.16 148.89 40.36 Favored Pre-proline 0 CA--C 1.539 0.53 0 O-C-N 123.327 0.392 . . . . 0.0 111.383 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.96 165.72 25.23 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.813 2.342 . . . . 0.0 113.131 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 13.9 t -62.38 141.03 58.53 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.795 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . 0.512 ' O ' ' HB2' ' X' ' 24' ' ' ASP . . . 109.19 6.47 29.61 Favored Glycine 0 C--N 1.336 0.571 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.555 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . 0.416 ' HD2' ' O ' ' X' ' 20' ' ' PHE . 7.5 m-85 -103.72 165.94 10.73 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 122.818 0.447 . . . . 0.0 111.17 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 59.9 t -99.84 102.9 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -100.37 99.58 10.24 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.438 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -149.88 132.18 15.53 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.628 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.39 32.75 33.68 Favored Glycine 0 C--N 1.343 0.959 0 O-C-N 123.601 0.563 . . . . 0.0 112.847 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 80.9 p 61.96 19.67 10.91 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.561 1.144 . . . . 0.0 112.935 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -136.78 146.35 45.62 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.939 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 45.4 t -115.0 123.12 48.27 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.189 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . 0.416 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 39.7 p90 -129.58 160.29 65.29 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-O 119.194 -0.432 . . . . 0.0 111.381 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -82.32 134.89 8.06 Favored 'Trans proline' 0 C--N 1.381 2.275 0 C-N-CA 122.392 2.062 . . . . 0.0 113.094 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -162.91 -52.22 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.626 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 7.6 t70 -94.86 -13.37 25.55 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.989 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . 0.512 ' HB2' ' O ' ' X' ' 11' ' ' GLY . 4.1 t70 -128.63 103.65 7.21 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 123.265 0.353 . . . . 0.0 110.294 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 . . . . . 0 N--CA 1.484 1.274 0 C-N-CA 123.96 0.904 . . . . 0.0 112.033 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.473 0.178 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.71 79.59 0.03 OUTLIER Glycine 0 C--N 1.336 0.564 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.33 121.79 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 O-C-N 123.623 0.249 . . . . 0.0 111.166 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -100.98 145.55 28.54 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.819 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.11 119.54 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.271 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.15 149.98 21.13 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.62 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -138.39 135.47 35.33 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.607 0.239 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 p -99.49 151.34 37.4 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.992 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -61.0 165.98 11.31 Favored 'Trans proline' 0 C--N 1.374 1.88 0 C-N-CA 123.067 2.512 . . . . 0.0 113.311 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 52.8 m -58.83 132.52 54.19 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.119 0.567 . . . . 0.0 112.064 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.6 34.9 4.82 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.292 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . 0.616 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 1.3 m-85 -130.2 166.45 20.24 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 122.64 0.376 . . . . 0.0 110.961 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 6.7 m -112.52 115.65 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.183 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . 0.552 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 98.6 mtt180 -100.17 99.24 9.91 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.342 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . 0.552 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 25.1 mmt180 -152.47 135.49 15.64 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 50.0 5.57 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.987 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 13.4 t 49.85 19.39 0.43 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.924 1.289 . . . . 0.0 114.448 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -160.8 148.74 15.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.72 0.408 . . . . 0.0 110.923 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . 0.616 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 34.3 t -100.17 129.07 46.15 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.499 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -128.8 163.45 45.2 Favored Pre-proline 0 CA--C 1.55 0.957 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.373 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -80.52 132.17 8.81 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.471 2.114 . . . . 0.0 112.813 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -161.26 -52.35 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.753 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -91.29 0.68 57.48 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 123.591 0.557 . . . . 0.0 111.19 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.72 -43.06 9.79 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.022 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.886 179.741 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.501 0.191 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.87 53.07 0.02 OUTLIER Glycine 0 C--N 1.337 0.584 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.555 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.89 119.79 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 122.254 0.222 . . . . 0.0 111.244 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -107.82 -39.9 5.43 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.365 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 8.4 p -103.68 135.79 39.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -114.25 -130.89 5.11 Favored Glycine 0 C--N 1.338 0.651 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.454 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 20.1 p -109.71 -49.83 3.05 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.604 0.238 . . . . 0.0 111.224 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 78.9 m -97.62 149.26 35.52 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.017 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . 0.536 ' HG2' ' CD1' ' X' ' 12' ' ' TYR . 37.5 Cg_endo -66.83 165.5 25.65 Favored 'Trans proline' 0 C--N 1.373 1.821 0 C-N-CA 122.648 2.232 . . . . 0.0 113.048 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 43.8 p -77.43 130.7 37.39 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.775 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.9 44.56 3.07 Favored Glycine 0 C--N 1.338 0.688 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.293 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . 0.536 ' CD1' ' HG2' ' X' ' 9' ' ' PRO . 5.5 m-85 -135.01 162.92 31.09 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 122.529 0.332 . . . . 0.0 111.432 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 58.0 t -99.83 107.6 21.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . 0.649 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 97.2 mtt180 -99.99 99.78 10.58 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.547 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -149.03 130.45 14.75 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.584 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.42 32.28 34.98 Favored Glycine 0 C--N 1.342 0.914 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.784 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 74.0 p 61.65 19.72 10.7 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.579 1.152 . . . . 0.0 112.945 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -137.05 147.21 46.02 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.009 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . 0.649 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 71.3 m -112.89 122.79 48.7 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.392 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -127.96 158.78 69.62 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-O 119.139 -0.457 . . . . 0.0 111.171 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . 0.497 ' HA ' ' OD2' ' X' ' 24' ' ' ASP . 4.9 Cg_exo -80.59 133.63 9.49 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 122.276 1.984 . . . . 0.0 113.024 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -162.33 -51.87 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.805 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -88.55 -7.91 55.67 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.399 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . 0.497 ' OD2' ' HA ' ' X' ' 21' ' ' PRO . 3.8 p-10 -96.91 -44.78 6.88 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.109 0.256 . . . . 0.0 111.394 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.417 -0.802 . . . . 0.0 110.536 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.498 0.19 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.29 -144.79 10.59 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.496 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 m -137.67 116.82 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 123.683 0.284 . . . . 0.0 111.286 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -131.35 146.65 52.37 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 m -130.43 119.89 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.202 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.69 -54.21 0.19 Allowed Glycine 0 C--N 1.337 0.608 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.661 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.8 p -136.87 150.63 48.38 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.606 0.241 . . . . 0.0 111.362 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 67.2 m -94.4 153.17 40.49 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.191 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -63.96 165.62 18.51 Favored 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.744 2.296 . . . . 0.0 113.069 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 14.4 t -77.45 132.61 38.54 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.444 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . 0.511 ' O ' ' HB3' ' X' ' 23' ' ' ASP . . . 108.72 4.08 32.09 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.927 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -110.57 158.39 18.61 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 122.401 0.28 . . . . 0.0 111.253 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 47.7 t -99.99 115.88 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.555 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . 0.67 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 70.9 mtt180 -99.92 99.42 10.19 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.433 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' X' ' 14' ' ' ARG . 97.2 mtt180 -151.87 136.57 17.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.796 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.34 41.18 11.97 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.075 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 64.3 p 56.66 19.34 4.23 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.597 1.159 . . . . 0.0 113.538 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -157.88 150.37 22.52 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.712 0.405 . . . . 0.0 110.875 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . 0.67 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 57.9 m -100.0 131.96 45.64 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.509 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -125.71 160.34 56.63 Favored Pre-proline 0 CA--C 1.549 0.908 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.241 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -80.11 134.47 10.47 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.283 1.989 . . . . 0.0 112.975 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -163.8 -51.4 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.751 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . 0.511 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 7.2 t70 -91.06 -14.77 30.68 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.077 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . 0.5 ' HB2' ' O ' ' X' ' 11' ' ' GLY . 4.2 t70 -125.73 102.12 7.18 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 123.322 0.389 . . . . 0.0 110.22 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.597 -0.716 . . . . 0.0 110.587 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 10.5 t80 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.383 0.135 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.92 -55.69 0.59 Allowed Glycine 0 C--N 1.341 0.807 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -134.03 130.78 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 122.305 0.242 . . . . 0.0 111.277 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -99.96 -39.28 8.23 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.104 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.9 m -128.56 -38.92 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.736 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.49 154.01 6.24 Favored Glycine 0 C--N 1.336 0.561 0 O-C-N 123.592 0.558 . . . . 0.0 112.544 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -136.68 133.09 35.8 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 122.335 0.254 . . . . 0.0 111.16 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . 0.443 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 24.4 p -127.22 150.07 71.34 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.61 165.77 15.03 Favored 'Trans proline' 0 C--N 1.374 1.908 0 C-N-CA 122.916 2.411 . . . . 0.0 113.423 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 51.8 m -73.25 150.39 42.05 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.822 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.03 24.03 16.02 Favored Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.475 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -131.32 168.7 17.1 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 122.824 0.45 . . . . 0.0 110.916 -179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 m -102.83 110.46 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 123.141 0.275 . . . . 0.0 110.482 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . 0.646 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 72.0 mtp180 -99.83 99.67 10.49 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.705 -179.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -149.67 134.69 17.97 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 34.81 27.81 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.891 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 67.3 p 60.76 19.48 9.6 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.753 1.221 . . . . 0.0 113.405 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -148.92 145.15 27.28 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.426 0.29 . . . . 0.0 111.148 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . 0.646 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 35.0 m -101.4 124.36 46.94 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.219 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -128.68 163.51 44.59 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-O 119.179 -0.438 . . . . 0.0 111.252 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -80.88 133.08 8.93 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 122.412 2.075 . . . . 0.0 112.879 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -163.4 -51.72 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.527 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -89.12 3.57 51.39 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.061 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -88.06 -41.13 13.28 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.512 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.526 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 10.2 t80 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.286 0.089 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.51 143.73 15.96 Favored Glycine 0 C--N 1.34 0.753 0 O-C-N 123.531 0.52 . . . . 0.0 112.423 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 6.3 t 63.25 115.14 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 123.675 0.79 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -128.51 144.13 51.09 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.37 120.67 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 123.651 0.594 . . . . 0.0 111.324 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.09 -120.55 0.85 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -125.21 126.98 46.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.726 0.31 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 17.3 p -102.06 150.14 37.19 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -63.29 165.92 16.17 Favored 'Trans proline' 0 C--N 1.372 1.811 0 C-N-CA 122.904 2.403 . . . . 0.0 113.27 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 46.0 p -61.09 139.84 58.0 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.053 0.541 . . . . 0.0 112.068 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.39 38.05 3.86 Favored Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.261 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . 0.474 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 5.4 m-85 -133.57 162.16 32.66 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.688 0.395 . . . . 0.0 111.141 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -99.85 105.64 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . 0.511 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 79.4 mtp180 -102.73 99.61 9.59 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.4 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 22.7 mmt180 -149.47 131.12 14.95 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.511 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.37 31.86 36.42 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.893 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 78.8 p 61.85 19.78 10.91 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.574 1.149 . . . . 0.0 112.966 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -137.02 135.12 37.3 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.005 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . 0.474 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 49.8 t -106.83 122.7 46.9 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.316 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . 0.404 ' O ' ' HD1' ' X' ' 12' ' ' TYR . 35.1 p90 -130.63 161.18 62.51 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-O 119.124 -0.465 . . . . 0.0 111.509 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . 0.465 ' HA ' ' OD2' ' X' ' 24' ' ' ASP . 4.6 Cg_exo -80.91 134.12 9.36 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 122.408 2.072 . . . . 0.0 112.887 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -162.94 -51.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.852 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -87.18 -6.89 58.45 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.418 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . 0.465 ' OD2' ' HA ' ' X' ' 21' ' ' PRO . 3.2 p-10 -95.76 -47.67 6.08 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.125 0.266 . . . . 0.0 111.228 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . 0.445 ' HD2' ' OD1' ' X' ' 24' ' ' ASP . 79.7 m-85 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.838 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.561 0.22 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.39 -141.45 6.57 Favored Glycine 0 C--N 1.337 0.591 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.53 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.19 121.04 48.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 122.247 0.219 . . . . 0.0 111.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -128.98 149.54 50.77 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.85 127.24 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.295 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 110.06 73.32 0.74 Allowed Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.595 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 19.3 p -103.21 -43.16 5.53 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.709 0.3 . . . . 0.0 111.482 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 82.0 m -89.82 150.58 44.14 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.26 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.77 165.65 20.36 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.781 2.321 . . . . 0.0 113.22 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 14.1 t -75.73 139.26 41.79 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.467 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.59 34.37 5.81 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.442 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -133.11 167.2 20.76 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.714 0.406 . . . . 0.0 111.091 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.52 105.87 18.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -99.92 99.71 10.51 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.589 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -149.74 131.42 14.96 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.786 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.41 26.63 54.19 Favored Glycine 0 C--N 1.343 0.938 0 CA-C-N 116.056 -0.52 . . . . 0.0 113.186 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.11 19.58 6.7 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.026 0.93 . . . . 0.0 111.866 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -142.31 151.54 42.08 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.925 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 26.8 p -121.73 121.62 37.69 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.43 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -121.71 161.25 42.9 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.121 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -78.6 134.58 12.41 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.331 2.021 . . . . 0.0 112.886 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -166.67 -49.94 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.804 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -86.5 -16.35 37.26 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.153 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -106.28 95.89 6.08 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.07 0.462 . . . . 0.0 110.797 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.607 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 9.6 t80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.516 0.198 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.87 157.78 7.78 Favored Glycine 0 C--N 1.338 0.648 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.709 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.5 128.51 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 O-C-N 123.714 0.302 . . . . 0.0 111.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -105.31 153.44 21.62 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.971 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 4.5 m -118.08 132.65 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.256 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.61 90.71 0.09 OUTLIER Glycine 0 C--N 1.338 0.64 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.424 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -109.13 153.63 23.45 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.674 0.273 . . . . 0.0 111.28 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . 0.497 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 9.1 p -99.04 151.21 37.29 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -62.45 165.72 14.8 Favored 'Trans proline' 0 C--N 1.374 1.91 0 C-N-CA 122.988 2.459 . . . . 0.0 113.34 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 43.1 p -69.47 142.95 53.65 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.805 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.34 31.15 6.96 Favored Glycine 0 C--N 1.339 0.706 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.384 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -135.45 161.62 34.95 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 122.835 0.454 . . . . 0.0 111.068 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 37.8 t -99.97 114.27 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . 0.66 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 93.5 mtt180 -99.97 99.43 10.19 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.626 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . 0.524 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 12.8 mmm180 -150.82 135.17 17.0 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.615 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.51 40.17 13.42 Favored Glycine 0 C--N 1.341 0.838 0 O-C-N 123.611 0.569 . . . . 0.0 113.006 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 64.4 p 57.48 19.31 5.14 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 124.594 1.158 . . . . 0.0 113.597 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -156.42 149.32 23.98 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.564 0.346 . . . . 0.0 110.727 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . 0.66 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 29.6 m -100.03 128.95 46.04 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.58 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -119.25 159.88 43.62 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-O 119.073 -0.489 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -79.52 135.95 12.07 Favored 'Trans proline' 0 C--N 1.38 2.194 0 C-N-CA 122.197 1.932 . . . . 0.0 113.252 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -167.39 -50.31 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.819 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -106.95 15.02 25.83 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.954 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -78.02 98.22 5.64 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.141 0.496 . . . . 0.0 111.469 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.94 179.812 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.501 0.191 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.51 -85.9 1.71 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.488 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.48 120.33 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 O-C-N 123.642 0.26 . . . . 0.0 111.313 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -128.66 145.96 51.01 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.802 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.12 120.18 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.335 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.79 -158.18 14.45 Favored Glycine 0 C--N 1.337 0.603 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.548 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -103.69 -38.64 7.0 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 75.6 m -94.65 149.66 36.82 Favored Pre-proline 0 CA--C 1.537 0.477 0 O-C-N 123.451 0.47 . . . . 0.0 111.137 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 9' ' ' PRO . . . . . 0.475 ' HG2' ' CD1' ' X' ' 12' ' ' TYR . 36.9 Cg_endo -65.83 165.63 22.91 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.763 2.309 . . . . 0.0 113.121 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.7 m -78.16 140.85 38.98 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.645 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 11' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' X' ' 24' ' ' ASP . . . 94.83 16.28 42.53 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.885 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 12' ' ' TYR . . . . . 0.475 ' CD1' ' HG2' ' X' ' 9' ' ' PRO . 3.4 m-85 -109.54 163.65 13.25 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 122.604 0.362 . . . . 0.0 111.158 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.88 112.39 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 14' ' ' ARG . . . . . 0.407 ' O ' ' HG3' ' X' ' 15' ' ' ARG . 62.2 mtp180 -99.88 99.38 10.15 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.498 -179.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 15' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' X' ' 14' ' ' ARG . 97.2 mtt180 -151.6 135.96 16.83 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.685 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.48 42.57 10.13 Favored Glycine 0 C--N 1.341 0.83 0 O-C-N 123.613 0.571 . . . . 0.0 113.094 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 62.1 p 56.22 19.28 3.77 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.467 1.107 . . . . 0.0 113.761 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -159.5 148.84 18.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.825 0.45 . . . . 0.0 110.912 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 26.7 p -100.03 134.65 42.63 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.696 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -125.97 161.12 53.32 Favored Pre-proline 0 CA--C 1.55 0.953 0 O-C-N 123.495 0.497 . . . . 0.0 111.114 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.02 135.16 10.95 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 122.326 2.018 . . . . 0.0 112.876 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -164.94 -51.3 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.773 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 23' ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 7.8 t70 -95.86 -14.34 23.27 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.912 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 24' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' X' ' 11' ' ' GLY . 4.0 t70 -127.61 105.68 8.64 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 123.336 0.398 . . . . 0.0 110.41 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 . . . . . 0 C--O 1.252 1.213 0 CA-C-O 118.493 -0.765 . . . . 0.0 110.954 179.828 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.96 38.41 3.15 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.256 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 12' ' ' TYR . . . . . 0.416 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 7.5 m-85 -133.74 163.4 29.54 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 122.693 0.397 . . . . 0.0 111.075 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -99.92 103.63 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 14' ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 84.2 mtm180 -100.45 99.6 10.24 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.363 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 15' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 22.4 mmt180 -148.81 132.85 17.22 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.556 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.37 32.74 33.78 Favored Glycine 0 C--N 1.342 0.876 0 O-C-N 123.549 0.531 . . . . 0.0 112.813 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 82.7 p 62.12 19.78 11.14 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.576 1.151 . . . . 0.0 113.001 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -137.35 145.84 43.82 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.021 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 19' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 48.8 t -113.37 121.73 45.24 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.257 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 20' ' ' PHE . . . . . 0.414 ' O ' ' HD1' ' X' ' 12' ' ' TYR . 38.2 p90 -128.63 160.54 62.27 Favored Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.486 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -82.68 133.63 7.09 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.371 2.047 . . . . 0.0 113.066 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -161.21 -52.49 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.71 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 CA--C 1.542 0.659 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.214 179.544 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.6 m . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.11 41.41 3.76 Favored Glycine 0 C--N 1.336 0.566 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.427 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -132.84 167.61 19.89 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 122.631 0.372 . . . . 0.0 111.258 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 m -102.02 107.31 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.724 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 14' ' ' ARG . . . . . 0.666 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 93.3 mtt180 -100.11 99.64 10.38 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.514 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -150.3 134.43 17.02 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.48 22.16 62.95 Favored Glycine 0 C--N 1.342 0.877 0 O-C-N 123.598 0.561 . . . . 0.0 113.118 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.15 19.45 6.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.947 0.899 . . . . 0.0 112.01 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -140.81 136.8 32.8 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.961 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 19' ' ' CYS . . . . . 0.666 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 76.3 m -104.22 121.98 44.42 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.504 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -131.23 163.38 49.75 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.68 131.45 9.28 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.362 2.041 . . . . 0.0 112.825 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -161.85 -52.34 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.755 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 . . . . . 0 CA--C 1.541 0.625 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.229 179.537 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.6 m . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.93 32.2 5.98 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.388 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -135.27 165.73 24.76 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 122.766 0.426 . . . . 0.0 110.883 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 44.3 t -99.85 111.49 29.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 14' ' ' ARG . . . . . 0.678 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 97.8 mtt180 -99.9 99.54 10.33 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.653 -179.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -150.89 135.45 17.15 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.53 40.5 12.72 Favored Glycine 0 C--N 1.341 0.835 0 CA-C-N 115.977 -0.556 . . . . 0.0 113.03 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 69.8 p 57.73 19.4 5.53 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.669 1.188 . . . . 0.0 113.667 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -156.57 151.08 25.58 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.542 0.337 . . . . 0.0 111.016 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 19' ' ' CYS . . . . . 0.678 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 21.5 m -100.04 132.98 45.07 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.363 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -128.42 159.53 67.08 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.295 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -79.66 137.39 12.8 Favored 'Trans proline' 0 C--N 1.38 2.184 0 C-N-CA 122.377 2.052 . . . . 0.0 112.962 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -167.24 -49.97 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.455 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 t70 . . . . . 0 CA--C 1.538 0.518 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.875 179.292 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.67 34.27 4.75 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.43 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 12' ' ' TYR . . . . . 0.47 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 9.7 m-85 -131.91 160.57 35.37 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.675 0.39 . . . . 0.0 111.046 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -100.1 104.08 15.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 14' ' ' ARG . . . . . 0.499 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 84.3 mtm180 -100.31 99.65 10.34 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.397 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 15' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 24.5 mmt180 -149.43 136.12 19.46 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.683 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.38 33.03 32.88 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.848 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 81.3 p 62.83 19.57 11.59 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.672 1.189 . . . . 0.0 113.083 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -142.54 144.89 33.13 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.084 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 19' ' ' CYS . . . . . 0.47 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 42.3 t -109.85 123.88 50.35 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.72 0.638 . . . . 0.0 110.144 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 20' ' ' PHE . . . . . 0.417 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 35.0 p90 -127.97 161.36 56.35 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-O 119.081 -0.485 . . . . 0.0 111.672 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -82.8 133.01 6.67 Favored 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 122.316 2.011 . . . . 0.0 112.943 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -159.83 -52.92 0.06 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.763 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t70 . . . . . 0 CA--C 1.54 0.575 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.222 179.615 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 N--CA 1.468 0.472 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.54 29.47 8.26 Favored Glycine 0 C--N 1.338 0.668 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.746 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -121.69 163.44 19.03 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 122.499 0.32 . . . . 0.0 111.19 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t -99.76 106.48 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 14' ' ' ARG . . . . . 0.646 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 81.9 mtm180 -99.91 99.81 10.63 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.521 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -148.49 136.62 21.05 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.743 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.52 24.5 58.61 Favored Glycine 0 C--N 1.34 0.802 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.854 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.03 19.63 6.78 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.085 0.954 . . . . 0.0 111.968 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -141.59 148.04 38.61 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.158 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 19' ' ' CYS . . . . . 0.646 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 62.5 m -108.93 125.13 51.7 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.058 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -129.44 159.71 67.97 Favored Pre-proline 0 CA--C 1.548 0.866 0 O-C-N 123.354 0.408 . . . . 0.0 111.428 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.75 135.38 10.16 Favored 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 122.431 2.087 . . . . 0.0 112.818 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -163.89 -50.68 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.943 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 CA--C 1.536 0.429 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.06 179.517 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 11' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' X' ' 23' ' ' ASP . . . 98.21 17.76 28.55 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.546 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 12' ' ' TYR . . . . . 0.568 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 1.9 m-85 -109.97 166.42 10.95 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.885 0.474 . . . . 0.0 111.113 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 13' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' X' ' 19' ' ' CYS . 45.5 t -99.61 130.81 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 14' ' ' ARG . . . . . 0.514 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 67.8 mtm180 -131.11 110.92 11.53 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.461 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 15' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 9.3 mmm180 -145.72 113.72 6.52 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.683 0.278 . . . . 0.0 111.147 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.3 50.22 5.52 Favored Glycine 0 C--N 1.346 1.117 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.342 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 44.8 p 53.29 29.87 9.24 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.988 0.915 . . . . 0.0 111.866 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 18' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' X' ' 20' ' ' PHE . 62.5 t80 -135.84 141.56 44.7 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.538 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 19' ' ' CYS . . . . . 0.568 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 42.4 t -128.93 125.75 38.2 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.202 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 20' ' ' PHE . . . . . 0.495 ' HB3' ' CZ ' ' X' ' 18' ' ' PHE . 35.7 p90 -132.53 162.99 53.81 Favored Pre-proline 0 CA--C 1.548 0.885 0 O-C-N 123.4 0.438 . . . . 0.0 111.69 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.88 134.92 10.98 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 122.423 2.082 . . . . 0.0 112.929 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -165.91 -51.1 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.579 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 23' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 8.3 t70 . . . . . 0 CA--C 1.537 0.465 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.893 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 40.9 p . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.65 30.1 7.82 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.358 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -133.55 166.64 22.1 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.821 0.449 . . . . 0.0 110.857 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -99.67 108.74 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 14' ' ' ARG . . . . . 0.672 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 96.2 mtt180 -99.82 99.45 10.25 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.497 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -151.03 132.77 14.95 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.469 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.57 49.68 5.67 Favored Glycine 0 C--N 1.341 0.849 0 O-C-N 123.549 0.531 . . . . 0.0 112.887 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 13.0 t 50.06 19.42 0.48 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.001 1.32 . . . . 0.0 114.507 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -157.34 148.43 21.65 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.568 0.347 . . . . 0.0 110.984 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 19' ' ' CYS . . . . . 0.672 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 15.0 m -100.25 136.21 40.5 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.461 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -129.7 160.08 66.5 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-O 119.157 -0.449 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.88 134.98 8.61 Favored 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 122.245 1.963 . . . . 0.0 113.296 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -164.31 -51.69 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.676 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 t70 . . . . . 0 CA--C 1.539 0.531 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.226 179.514 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.74 37.8 3.36 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.386 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 12' ' ' TYR . . . . . 0.459 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 6.1 m-85 -132.0 162.2 31.31 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 122.738 0.415 . . . . 0.0 111.113 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.94 106.55 19.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 14' ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 98.7 mtt180 -101.43 99.72 10.09 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.396 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 15' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 22.3 mmt180 -148.47 134.26 18.94 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.736 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.34 31.55 37.47 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.812 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 73.5 p 63.45 19.71 11.84 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.59 1.156 . . . . 0.0 112.782 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -138.65 149.19 44.92 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.988 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 19' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 49.0 t -113.81 121.46 44.08 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.085 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -126.7 160.35 59.11 Favored Pre-proline 0 CA--C 1.548 0.904 0 CA-C-O 119.189 -0.434 . . . . 0.0 111.524 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -82.64 133.92 7.27 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 122.222 1.948 . . . . 0.0 113.027 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -161.27 -52.57 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.723 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 . . . . . 0 CA--C 1.54 0.586 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.252 179.538 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 42.5 p . . . . . 0 N--CA 1.47 0.554 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.31 40.97 3.82 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.451 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 12' ' ' TYR . . . . . 0.408 ' HD2' ' O ' ' X' ' 20' ' ' PHE . 6.8 m-85 -135.1 163.38 30.05 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.606 0.362 . . . . 0.0 111.446 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.92 105.88 18.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 14' ' ' ARG . . . . . 0.66 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 86.9 mtt180 -99.98 99.66 10.44 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.514 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -150.16 133.1 16.09 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.776 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 22.59 62.18 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 116.002 -0.544 . . . . 0.0 113.174 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 69.99 19.6 6.84 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.893 0.877 . . . . 0.0 112.002 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -138.76 133.69 32.51 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.133 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 19' ' ' CYS . . . . . 0.66 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 84.0 m -103.21 123.96 47.71 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.323 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 20' ' ' PHE . . . . . 0.408 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 37.6 p90 -129.6 159.85 67.49 Favored Pre-proline 0 CA--C 1.548 0.869 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.58 135.05 11.41 Favored 'Trans proline' 0 C--N 1.382 2.296 0 C-N-CA 122.272 1.982 . . . . 0.0 112.925 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -164.7 -50.29 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.174 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 CA--C 1.54 0.595 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.263 179.806 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 120.616 0.246 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.27 41.68 2.74 Favored Glycine 0 C--N 1.336 0.579 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.594 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -137.52 160.15 39.94 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 122.383 0.273 . . . . 0.0 111.204 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 57.9 t -99.86 111.69 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 14' ' ' ARG . . . . . 0.673 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 94.3 mtt180 -100.0 99.77 10.57 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.529 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -149.38 136.57 19.9 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.78 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.35 22.98 61.62 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.873 -0.603 . . . . 0.0 113.054 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.24 19.52 6.56 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.084 0.954 . . . . 0.0 111.901 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -144.96 144.74 31.21 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.945 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 19' ' ' CYS . . . . . 0.673 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 80.3 m -102.35 125.43 49.06 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.207 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -127.62 158.73 69.11 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-O 119.111 -0.471 . . . . 0.0 111.353 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -79.32 135.66 12.14 Favored 'Trans proline' 0 C--N 1.38 2.199 0 C-N-CA 122.244 1.963 . . . . 0.0 112.733 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -164.83 -50.24 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.605 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.3 t70 . . . . . 0 CA--C 1.54 0.564 0 O-C-N 123.642 0.589 . . . . 0.0 111.089 179.354 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.66 14.77 39.44 Favored Glycine 0 CA--C 1.523 0.584 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.514 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 12' ' ' TYR . . . . . 0.494 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 1.8 m-85 -106.87 167.22 10.03 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 122.743 0.417 . . . . 0.0 111.115 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 m -108.25 112.1 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 14' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 79.3 mtp180 -103.57 99.62 9.44 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.348 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 15' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 23.5 mmt180 -149.5 135.76 19.07 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.801 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.42 24.76 58.37 Favored Glycine 0 C--N 1.342 0.863 0 CA-C-N 115.918 -0.583 . . . . 0.0 113.001 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.15 19.51 6.67 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.078 0.951 . . . . 0.0 111.976 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -141.87 146.97 36.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.082 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 19' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 47.8 t -113.12 118.2 34.08 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.268 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -127.7 163.55 42.3 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.22 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -79.17 130.95 9.53 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.407 2.071 . . . . 0.0 112.878 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -161.2 -52.65 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.788 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 CA--C 1.539 0.534 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.216 179.566 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 13.9 t . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' X' X ' 11' ' ' GLY . . . . . 0.481 ' O ' ' HB3' ' X' ' 23' ' ' ASP . . . 109.19 6.47 29.61 Favored Glycine 0 C--N 1.336 0.571 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.555 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 12' ' ' TYR . . . . . 0.419 ' HD2' ' O ' ' X' ' 20' ' ' PHE . 7.5 m-85 -103.72 165.94 10.73 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 122.818 0.447 . . . . 0.0 111.17 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 59.9 t -99.84 102.9 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -100.37 99.58 10.24 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.438 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -149.88 132.18 15.53 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.628 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.39 32.75 33.68 Favored Glycine 0 C--N 1.343 0.959 0 O-C-N 123.601 0.563 . . . . 0.0 112.847 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 80.9 p 61.96 19.67 10.91 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.561 1.144 . . . . 0.0 112.935 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -136.78 146.35 45.62 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.939 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 19' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 45.4 t -115.0 123.12 48.27 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.189 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 20' ' ' PHE . . . . . 0.419 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 39.7 p90 -129.58 160.29 65.29 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-O 119.194 -0.432 . . . . 0.0 111.381 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -82.32 134.89 8.06 Favored 'Trans proline' 0 C--N 1.381 2.275 0 C-N-CA 122.392 2.062 . . . . 0.0 113.094 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -162.91 -52.22 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.626 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 23' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 7.6 t70 . . . . . 0 CA--C 1.536 0.433 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.989 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 52.8 m . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.6 34.9 4.82 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.292 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 12' ' ' TYR . . . . . 0.62 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 1.3 m-85 -130.2 166.45 20.24 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 122.64 0.376 . . . . 0.0 110.961 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 6.7 m -112.52 115.65 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.183 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 14' ' ' ARG . . . . . 0.534 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 98.6 mtt180 -100.17 99.24 9.91 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.342 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 15' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 25.1 mmt180 -152.47 135.49 15.64 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 50.0 5.57 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.987 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 13.4 t 49.85 19.39 0.43 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.924 1.289 . . . . 0.0 114.448 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -160.8 148.74 15.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.72 0.408 . . . . 0.0 110.923 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 19' ' ' CYS . . . . . 0.62 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 34.3 t -100.17 129.07 46.15 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.499 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -128.8 163.45 45.2 Favored Pre-proline 0 CA--C 1.55 0.957 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.373 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -80.52 132.17 8.81 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.471 2.114 . . . . 0.0 112.813 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -161.26 -52.35 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.753 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 CA--C 1.543 0.679 0 O-C-N 123.591 0.557 . . . . 0.0 111.19 179.544 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 43.8 p . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.9 44.56 3.07 Favored Glycine 0 C--N 1.338 0.688 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.293 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -135.01 162.92 31.09 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 122.529 0.332 . . . . 0.0 111.432 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 58.0 t -99.83 107.6 21.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 14' ' ' ARG . . . . . 0.654 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 97.2 mtt180 -99.99 99.78 10.58 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.547 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -149.03 130.45 14.75 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.584 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.42 32.28 34.98 Favored Glycine 0 C--N 1.342 0.914 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.784 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 74.0 p 61.65 19.72 10.7 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.579 1.152 . . . . 0.0 112.945 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -137.05 147.21 46.02 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.009 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 19' ' ' CYS . . . . . 0.654 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 71.3 m -112.89 122.79 48.7 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.392 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -127.96 158.78 69.62 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-O 119.139 -0.457 . . . . 0.0 111.171 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -80.59 133.63 9.49 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 122.276 1.984 . . . . 0.0 113.024 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -162.33 -51.87 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.805 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 CA--C 1.54 0.594 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.399 179.64 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 120.571 0.224 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' X' X ' 11' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' X' ' 23' ' ' ASP . . . 108.72 4.08 32.09 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.927 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -110.57 158.39 18.61 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 122.401 0.28 . . . . 0.0 111.253 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 47.7 t -99.99 115.88 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.555 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 14' ' ' ARG . . . . . 0.671 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 70.9 mtt180 -99.92 99.42 10.19 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.433 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 15' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' X' ' 14' ' ' ARG . 97.2 mtt180 -151.87 136.57 17.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.796 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.34 41.18 11.97 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.075 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 64.3 p 56.66 19.34 4.23 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.597 1.159 . . . . 0.0 113.538 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -157.88 150.37 22.52 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.712 0.405 . . . . 0.0 110.875 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 19' ' ' CYS . . . . . 0.671 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 57.9 m -100.0 131.96 45.64 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.509 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -125.71 160.34 56.63 Favored Pre-proline 0 CA--C 1.549 0.908 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.241 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -80.11 134.47 10.47 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.283 1.989 . . . . 0.0 112.975 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -163.8 -51.4 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.751 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 23' ' ' ASP . . . . . 0.515 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 7.2 t70 . . . . . 0 CA--C 1.537 0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.077 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.47 0.536 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.03 24.03 16.02 Favored Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.475 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 12' ' ' TYR . . . . . 0.401 ' HD2' ' O ' ' X' ' 20' ' ' PHE . 1.8 m-85 -131.32 168.7 17.1 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 122.824 0.45 . . . . 0.0 110.916 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 m -102.83 110.46 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 123.141 0.275 . . . . 0.0 110.482 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 14' ' ' ARG . . . . . 0.644 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 72.0 mtp180 -99.83 99.67 10.49 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.705 -179.056 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -149.67 134.69 17.97 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 34.81 27.81 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.891 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 67.3 p 60.76 19.48 9.6 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.753 1.221 . . . . 0.0 113.405 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -148.92 145.15 27.28 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.426 0.29 . . . . 0.0 111.148 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 19' ' ' CYS . . . . . 0.644 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 35.0 m -101.4 124.36 46.94 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.219 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 20' ' ' PHE . . . . . 0.401 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 36.3 p90 -128.68 163.51 44.59 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-O 119.179 -0.438 . . . . 0.0 111.252 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -80.88 133.08 8.93 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 122.412 2.075 . . . . 0.0 112.879 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -163.4 -51.72 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.527 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 CA--C 1.543 0.692 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.061 179.312 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 46.0 p . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.39 38.05 3.86 Favored Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.261 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 12' ' ' TYR . . . . . 0.482 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 5.4 m-85 -133.57 162.16 32.66 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.688 0.395 . . . . 0.0 111.141 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -99.85 105.64 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 14' ' ' ARG . . . . . 0.497 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 79.4 mtp180 -102.73 99.61 9.59 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.4 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 15' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 22.7 mmt180 -149.47 131.12 14.95 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.511 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.37 31.86 36.42 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.893 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 78.8 p 61.85 19.78 10.91 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.574 1.149 . . . . 0.0 112.966 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -137.02 135.12 37.3 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.005 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 19' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 49.8 t -106.83 122.7 46.9 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.316 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 20' ' ' PHE . . . . . 0.407 ' O ' ' HD1' ' X' ' 12' ' ' TYR . 35.1 p90 -130.63 161.18 62.51 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-O 119.124 -0.465 . . . . 0.0 111.509 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -80.91 134.12 9.36 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 122.408 2.072 . . . . 0.0 112.887 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -162.94 -51.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.852 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 CA--C 1.541 0.634 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.418 179.761 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.47 0.528 0 CA-C-O 120.574 0.226 . . . . 0.0 111.467 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.59 34.37 5.81 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.442 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -133.11 167.2 20.76 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.714 0.406 . . . . 0.0 111.091 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.52 105.87 18.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 14' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -99.92 99.71 10.51 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.589 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -149.74 131.42 14.96 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.786 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.41 26.63 54.19 Favored Glycine 0 C--N 1.343 0.938 0 CA-C-N 116.056 -0.52 . . . . 0.0 113.186 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.11 19.58 6.7 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.026 0.93 . . . . 0.0 111.866 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -142.31 151.54 42.08 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.925 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 26.8 p -121.73 121.62 37.69 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.43 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -121.71 161.25 42.9 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.121 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -78.6 134.58 12.41 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.331 2.021 . . . . 0.0 112.886 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -166.67 -49.94 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.804 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 . . . . . 0 CA--C 1.538 0.49 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.153 179.396 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 43.1 p . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.34 31.15 6.96 Favored Glycine 0 C--N 1.339 0.706 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.384 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -135.45 161.62 34.95 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 122.835 0.454 . . . . 0.0 111.068 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 37.8 t -99.97 114.27 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 14' ' ' ARG . . . . . 0.66 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 93.5 mtt180 -99.97 99.43 10.19 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.626 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 15' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 12.8 mmm180 -150.82 135.17 17.0 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.615 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.51 40.17 13.42 Favored Glycine 0 C--N 1.341 0.838 0 O-C-N 123.611 0.569 . . . . 0.0 113.006 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 64.4 p 57.48 19.31 5.14 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 124.594 1.158 . . . . 0.0 113.597 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -156.42 149.32 23.98 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.564 0.346 . . . . 0.0 110.727 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 19' ' ' CYS . . . . . 0.66 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 29.6 m -100.03 128.95 46.04 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.58 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -119.25 159.88 43.62 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-O 119.073 -0.489 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -79.52 135.95 12.07 Favored 'Trans proline' 0 C--N 1.38 2.194 0 C-N-CA 122.197 1.932 . . . . 0.0 113.252 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -167.39 -50.31 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.819 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 CA--C 1.541 0.622 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.954 179.754 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 120.632 0.253 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' X' X ' 11' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' X' ' 23' ' ' ASP . . . 94.83 16.28 42.53 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.885 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -109.54 163.65 13.25 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 122.604 0.362 . . . . 0.0 111.158 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.88 112.39 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 14' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' X' ' 15' ' ' ARG . 62.2 mtp180 -99.88 99.38 10.15 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.498 -179.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 15' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' X' ' 14' ' ' ARG . 97.2 mtt180 -151.6 135.96 16.83 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.685 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.48 42.57 10.13 Favored Glycine 0 C--N 1.341 0.83 0 O-C-N 123.613 0.571 . . . . 0.0 113.094 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 62.1 p 56.22 19.28 3.77 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.467 1.107 . . . . 0.0 113.761 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -159.5 148.84 18.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.825 0.45 . . . . 0.0 110.912 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 26.7 p -100.03 134.65 42.63 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.696 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -125.97 161.12 53.32 Favored Pre-proline 0 CA--C 1.55 0.953 0 O-C-N 123.495 0.497 . . . . 0.0 111.114 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.02 135.16 10.95 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 122.326 2.018 . . . . 0.0 112.876 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -164.94 -51.3 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.773 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 23' ' ' ASP . . . . . 0.431 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 7.8 t70 . . . . . 0 CA--C 1.537 0.444 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.912 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.486 0.184 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.69 158.32 27.31 Favored Glycine 0 C--N 1.336 0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.555 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -129.2 120.38 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 O-C-N 123.555 0.209 . . . . 0.0 111.293 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -121.18 137.92 54.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.798 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.41 119.47 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.232 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -157.86 160.8 31.01 Favored Glycine 0 C--N 1.337 0.627 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.649 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 19.5 p -98.84 -44.38 6.39 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 122.284 0.234 . . . . 0.0 111.421 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 24.6 p -109.6 148.96 39.21 Favored Pre-proline 0 CA--C 1.537 0.449 0 O-C-N 123.551 0.532 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.18 165.86 20.69 Favored 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 122.836 2.357 . . . . 0.0 113.127 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 13.8 t -61.34 139.26 58.21 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.825 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.96 38.41 3.15 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.256 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 12' ' ' TYR . . . . . 0.416 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 7.5 m-85 -133.74 163.4 29.54 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 122.693 0.397 . . . . 0.0 111.075 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -99.92 103.63 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 14' ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 84.2 mtm180 -100.45 99.6 10.24 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.363 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 15' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 22.4 mmt180 -148.81 132.85 17.22 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.556 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.37 32.74 33.78 Favored Glycine 0 C--N 1.342 0.876 0 O-C-N 123.549 0.531 . . . . 0.0 112.813 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 82.7 p 62.12 19.78 11.14 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.576 1.151 . . . . 0.0 113.001 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -137.35 145.84 43.82 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.021 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 19' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 48.8 t -113.37 121.73 45.24 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.257 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 20' ' ' PHE . . . . . 0.414 ' O ' ' HD1' ' X' ' 12' ' ' TYR . 38.2 p90 -128.63 160.54 62.27 Favored Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.486 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -82.68 133.63 7.09 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.371 2.047 . . . . 0.0 113.066 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -161.21 -52.49 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.71 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -90.94 -4.96 56.08 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.214 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -95.17 -42.54 8.52 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 123.281 0.363 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.536 -0.745 . . . . 0.0 110.834 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.528 0.204 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.12 147.78 18.7 Favored Glycine 0 C--N 1.336 0.575 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.559 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.59 133.26 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 O-C-N 123.675 0.279 . . . . 0.0 111.306 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -129.26 141.29 51.16 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.668 0.605 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 t 64.46 123.35 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.821 0.848 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.35 86.95 1.94 Allowed Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.561 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 20.0 p -111.58 -49.66 2.98 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 122.27 0.228 . . . . 0.0 111.429 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 57.0 m -95.0 149.01 35.62 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 9' ' ' PRO . . . . . 0.454 ' HG2' ' CD2' ' X' ' 12' ' ' TYR . 37.1 Cg_endo -66.21 165.56 23.99 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.684 2.256 . . . . 0.0 113.148 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.6 m -78.66 130.6 36.05 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.629 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.11 41.41 3.76 Favored Glycine 0 C--N 1.336 0.566 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.427 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 12' ' ' TYR . . . . . 0.454 ' CD2' ' HG2' ' X' ' 9' ' ' PRO . 2.6 m-85 -132.84 167.61 19.89 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 122.631 0.372 . . . . 0.0 111.258 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 m -102.02 107.31 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.724 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 14' ' ' ARG . . . . . 0.666 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 93.3 mtt180 -100.11 99.64 10.38 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.514 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -150.3 134.43 17.02 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.48 22.16 62.95 Favored Glycine 0 C--N 1.342 0.877 0 O-C-N 123.598 0.561 . . . . 0.0 113.118 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.15 19.45 6.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.947 0.899 . . . . 0.0 112.01 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -140.81 136.8 32.8 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.961 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 19' ' ' CYS . . . . . 0.666 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 76.3 m -104.22 121.98 44.42 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.504 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -131.23 163.38 49.75 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.68 131.45 9.28 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.362 2.041 . . . . 0.0 112.825 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -161.85 -52.34 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.755 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -91.95 -3.81 55.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.229 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -95.47 -43.4 8.0 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.208 0.317 . . . . 0.0 110.966 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 . . . . . 0 C--O 1.252 1.195 0 CA-C-O 118.526 -0.75 . . . . 0.0 110.881 179.88 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.427 0.156 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -108.62 -59.5 0.54 Allowed Glycine 0 C--N 1.336 0.557 0 O-C-N 123.658 0.599 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -134.68 145.91 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 123.596 0.233 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -115.55 138.24 51.25 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.44 -39.89 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.6 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.64 125.13 8.33 Favored Glycine 0 C--N 1.337 0.596 0 O-C-N 123.564 0.54 . . . . 0.0 112.504 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 7.3 t -137.51 134.46 35.74 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.292 0.237 . . . . 0.0 110.944 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 24.4 p -127.53 149.69 70.81 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.1 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.67 165.62 20.19 Favored 'Trans proline' 0 C--N 1.372 1.799 0 C-N-CA 122.977 2.451 . . . . 0.0 113.238 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.6 m -70.24 142.7 52.32 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.764 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.93 32.2 5.98 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.388 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -135.27 165.73 24.76 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 122.766 0.426 . . . . 0.0 110.883 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 44.3 t -99.85 111.49 29.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 14' ' ' ARG . . . . . 0.678 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 97.8 mtt180 -99.9 99.54 10.33 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.653 -179.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -150.89 135.45 17.15 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.53 40.5 12.72 Favored Glycine 0 C--N 1.341 0.835 0 CA-C-N 115.977 -0.556 . . . . 0.0 113.03 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 69.8 p 57.73 19.4 5.53 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.669 1.188 . . . . 0.0 113.667 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -156.57 151.08 25.58 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.542 0.337 . . . . 0.0 111.016 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 19' ' ' CYS . . . . . 0.678 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 21.5 m -100.04 132.98 45.07 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.363 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -128.42 159.53 67.08 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.295 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -79.66 137.39 12.8 Favored 'Trans proline' 0 C--N 1.38 2.184 0 C-N-CA 122.377 2.052 . . . . 0.0 112.962 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 22' ' ' ASP . . . . . 0.449 ' HA ' ' OH ' ' X' ' 25' ' ' TYR . 10.7 t70 -167.24 -49.97 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.455 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -85.6 -29.33 24.18 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.875 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -142.98 112.08 6.59 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 123.345 0.403 . . . . 0.0 110.561 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.449 ' OH ' ' HA ' ' X' ' 22' ' ' ASP . 89.1 m-85 . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.433 -0.794 . . . . 0.0 110.813 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.288 0.089 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -127.82 -55.29 0.12 Allowed Glycine 0 C--N 1.34 0.766 0 O-C-N 123.497 0.498 . . . . 0.0 112.515 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.99 152.18 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 122.288 0.235 . . . . 0.0 111.398 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -97.09 -43.69 7.3 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.485 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 4.9 m -133.27 119.54 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 123.388 0.43 . . . . 0.0 111.274 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.75 162.55 9.58 Favored Glycine 0 C--N 1.338 0.643 0 O-C-N 123.687 0.617 . . . . 0.0 112.615 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -98.56 -44.28 6.52 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 122.295 0.238 . . . . 0.0 111.436 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 22.4 p -110.02 150.03 40.86 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.044 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.52 165.85 14.65 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 122.957 2.438 . . . . 0.0 113.178 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 13.5 t -62.51 139.74 58.6 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.806 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.67 34.27 4.75 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.43 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 12' ' ' TYR . . . . . 0.47 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 9.7 m-85 -131.91 160.57 35.37 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.675 0.39 . . . . 0.0 111.046 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -100.1 104.08 15.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 14' ' ' ARG . . . . . 0.499 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 84.3 mtm180 -100.31 99.65 10.34 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.397 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 15' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 24.5 mmt180 -149.43 136.12 19.46 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.683 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.38 33.03 32.88 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.848 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 81.3 p 62.83 19.57 11.59 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.672 1.189 . . . . 0.0 113.083 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -142.54 144.89 33.13 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.084 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 19' ' ' CYS . . . . . 0.47 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 42.3 t -109.85 123.88 50.35 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.72 0.638 . . . . 0.0 110.144 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 20' ' ' PHE . . . . . 0.417 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 35.0 p90 -127.97 161.36 56.35 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-O 119.081 -0.485 . . . . 0.0 111.672 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -82.8 133.01 6.67 Favored 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 122.316 2.011 . . . . 0.0 112.943 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -159.83 -52.92 0.06 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.763 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.19 -6.31 53.63 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.222 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -97.79 -42.45 7.58 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 123.205 0.316 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 t80 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.452 -0.785 . . . . 0.0 110.534 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.556 0.217 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.86 149.83 6.45 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.508 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.3 119.92 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 O-C-N 123.655 0.268 . . . . 0.0 111.282 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -104.39 146.4 28.89 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.685 0.616 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 p -108.49 143.73 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.609 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.53 135.87 2.45 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.4 p -98.3 147.21 24.89 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.661 0.271 . . . . 0.0 111.181 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 64.2 m -90.47 149.24 40.57 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.165 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' CD1' ' X' ' 12' ' ' TYR . 36.4 Cg_endo -65.34 165.53 22.05 Favored 'Trans proline' 0 C--N 1.371 1.757 0 C-N-CA 122.671 2.247 . . . . 0.0 113.084 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 55.7 m -80.05 134.65 36.22 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.672 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 11' ' ' GLY . . . . . 0.564 ' O ' ' HB2' ' X' ' 24' ' ' ASP . . . 96.54 29.47 8.26 Favored Glycine 0 C--N 1.338 0.668 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.746 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 12' ' ' TYR . . . . . 0.516 ' CD1' ' HG2' ' X' ' 9' ' ' PRO . 5.0 m-85 -121.69 163.44 19.03 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 122.499 0.32 . . . . 0.0 111.19 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t -99.76 106.48 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 14' ' ' ARG . . . . . 0.646 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 81.9 mtm180 -99.91 99.81 10.63 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.521 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -148.49 136.62 21.05 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.743 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.52 24.5 58.61 Favored Glycine 0 C--N 1.34 0.802 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.854 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.03 19.63 6.78 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.085 0.954 . . . . 0.0 111.968 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -141.59 148.04 38.61 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.158 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 19' ' ' CYS . . . . . 0.646 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 62.5 m -108.93 125.13 51.7 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.058 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -129.44 159.71 67.97 Favored Pre-proline 0 CA--C 1.548 0.866 0 O-C-N 123.354 0.408 . . . . 0.0 111.428 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.75 135.38 10.16 Favored 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 122.431 2.087 . . . . 0.0 112.818 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -163.89 -50.68 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.943 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -90.91 -12.92 34.64 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.06 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 24' ' ' ASP . . . . . 0.564 ' HB2' ' O ' ' X' ' 11' ' ' GLY . 4.3 t70 -128.67 102.82 6.75 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 123.363 0.414 . . . . 0.0 110.237 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.985 179.808 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 10.1 t80 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.339 0.114 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.42 149.95 21.89 Favored Glycine 0 C--N 1.34 0.796 0 O-C-N 123.414 0.446 . . . . 0.0 112.492 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 m -134.36 134.94 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 123.658 0.27 . . . . 0.0 111.307 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -129.35 149.62 51.06 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.24 -39.3 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.799 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.53 -103.35 2.23 Favored Glycine 0 C--N 1.337 0.597 0 O-C-N 123.588 0.555 . . . . 0.0 112.598 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -98.79 151.6 20.61 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 122.331 0.252 . . . . 0.0 111.216 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 p -99.4 148.96 35.39 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.6 165.8 21.82 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.806 2.337 . . . . 0.0 113.184 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 14.6 t -61.07 141.29 57.52 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.935 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 11' ' ' GLY . . . . . 0.515 ' O ' ' HB2' ' X' ' 24' ' ' ASP . . . 98.21 17.76 28.55 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.546 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 12' ' ' TYR . . . . . 0.568 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 1.9 m-85 -109.97 166.42 10.95 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.885 0.474 . . . . 0.0 111.113 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 13' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' X' ' 19' ' ' CYS . 45.5 t -99.61 130.81 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 14' ' ' ARG . . . . . 0.514 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 67.8 mtm180 -131.11 110.92 11.53 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.461 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 15' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 9.3 mmm180 -145.72 113.72 6.52 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.683 0.278 . . . . 0.0 111.147 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.3 50.22 5.52 Favored Glycine 0 C--N 1.346 1.117 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.342 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 44.8 p 53.29 29.87 9.24 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.988 0.915 . . . . 0.0 111.866 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 18' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' X' ' 20' ' ' PHE . 62.5 t80 -135.84 141.56 44.7 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.538 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 19' ' ' CYS . . . . . 0.568 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 42.4 t -128.93 125.75 38.2 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.202 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 20' ' ' PHE . . . . . 0.495 ' HB3' ' CZ ' ' X' ' 18' ' ' PHE . 35.7 p90 -132.53 162.99 53.81 Favored Pre-proline 0 CA--C 1.548 0.885 0 O-C-N 123.4 0.438 . . . . 0.0 111.69 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.88 134.92 10.98 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 122.423 2.082 . . . . 0.0 112.929 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -165.91 -51.1 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.579 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 23' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 8.3 t70 -91.45 -19.96 22.27 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.893 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 24' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' X' ' 11' ' ' GLY . 4.5 t70 -131.9 107.3 8.63 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 123.34 0.4 . . . . 0.0 110.18 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 8.6 t80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.106 -0.95 . . . . 0.0 110.524 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 111.244 0.09 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.77 148.97 5.71 Favored Glycine 0 C--N 1.34 0.756 0 O-C-N 123.5 0.5 . . . . 0.0 112.55 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.12 135.52 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 O-C-N 123.645 0.262 . . . . 0.0 111.259 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.32 149.85 50.93 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -131.23 -39.78 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.761 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 118.95 95.55 1.66 Allowed Glycine 0 C--N 1.338 0.662 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.598 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.4 p -139.49 133.16 30.51 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.704 0.296 . . . . 0.0 110.942 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 8' ' ' CYS . . . . . 0.445 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 25.0 p -99.67 148.79 35.22 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.141 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.51 165.7 24.26 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.877 2.385 . . . . 0.0 113.309 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 40.9 p -70.21 145.87 51.11 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.743 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.65 30.1 7.82 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.358 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -133.55 166.64 22.1 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.821 0.449 . . . . 0.0 110.857 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -99.67 108.74 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 14' ' ' ARG . . . . . 0.672 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 96.2 mtt180 -99.82 99.45 10.25 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.497 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -151.03 132.77 14.95 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.469 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.57 49.68 5.67 Favored Glycine 0 C--N 1.341 0.849 0 O-C-N 123.549 0.531 . . . . 0.0 112.887 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 13.0 t 50.06 19.42 0.48 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.001 1.32 . . . . 0.0 114.507 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -157.34 148.43 21.65 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.568 0.347 . . . . 0.0 110.984 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 19' ' ' CYS . . . . . 0.672 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 15.0 m -100.25 136.21 40.5 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.461 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -129.7 160.08 66.5 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-O 119.157 -0.449 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.88 134.98 8.61 Favored 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 122.245 1.963 . . . . 0.0 113.296 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -164.31 -51.69 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.676 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -92.39 -12.05 33.26 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.226 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -99.97 -43.82 6.25 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.202 0.314 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.819 179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 120.257 0.075 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.56 83.03 0.07 OUTLIER Glycine 0 C--N 1.34 0.779 0 O-C-N 123.476 0.485 . . . . 0.0 112.475 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 m -136.46 135.73 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 O-C-N 123.613 0.243 . . . . 0.0 111.235 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -108.24 128.29 54.59 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.43 -39.92 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.78 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.79 123.56 3.36 Favored Glycine 0 C--N 1.338 0.639 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.516 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -100.59 -43.7 6.09 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.644 0.261 . . . . 0.0 111.418 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.98 149.15 37.72 Favored Pre-proline 0 CA--C 1.538 0.497 0 O-C-N 123.523 0.515 . . . . 0.0 110.939 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -64.82 165.84 19.93 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.848 2.365 . . . . 0.0 113.246 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.7 m -60.95 137.94 58.2 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.09 0.556 . . . . 0.0 112.041 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.74 37.8 3.36 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.386 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 12' ' ' TYR . . . . . 0.459 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 6.1 m-85 -132.0 162.2 31.31 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 122.738 0.415 . . . . 0.0 111.113 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.94 106.55 19.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 14' ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 98.7 mtt180 -101.43 99.72 10.09 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.396 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 15' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 22.3 mmt180 -148.47 134.26 18.94 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.736 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.34 31.55 37.47 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.812 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 73.5 p 63.45 19.71 11.84 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.59 1.156 . . . . 0.0 112.782 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -138.65 149.19 44.92 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.988 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 19' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 49.0 t -113.81 121.46 44.08 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.085 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -126.7 160.35 59.11 Favored Pre-proline 0 CA--C 1.548 0.904 0 CA-C-O 119.189 -0.434 . . . . 0.0 111.524 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -82.64 133.92 7.27 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 122.222 1.948 . . . . 0.0 113.027 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -161.27 -52.57 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.723 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -91.78 -7.08 50.6 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.252 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -98.13 -42.08 7.62 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.216 0.323 . . . . 0.0 111.052 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.392 -0.813 . . . . 0.0 110.904 179.871 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.455 0.169 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.69 78.29 0.03 OUTLIER Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.439 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 m -132.65 134.51 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 122.298 0.239 . . . . 0.0 111.262 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -128.33 -40.83 1.6 Allowed 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.706 0.629 . . . . 0.0 111.28 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 8.2 t 63.5 115.59 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 123.734 0.814 . . . . 0.0 110.992 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.71 -55.42 0.04 OUTLIER Glycine 0 C--N 1.338 0.648 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.7 p -136.91 140.5 42.34 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.612 0.242 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 73.0 m -91.89 149.97 39.87 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.222 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 9' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' X' ' 12' ' ' TYR . 36.3 Cg_endo -65.55 165.59 22.37 Favored 'Trans proline' 0 C--N 1.373 1.83 0 C-N-CA 122.637 2.225 . . . . 0.0 113.063 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 42.5 p -77.71 132.97 38.4 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.69 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 11' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' X' ' 24' ' ' ASP . . . 96.31 40.97 3.82 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.451 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 12' ' ' TYR . . . . . 0.443 ' CD1' ' HG2' ' X' ' 9' ' ' PRO . 6.8 m-85 -135.1 163.38 30.05 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.606 0.362 . . . . 0.0 111.446 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.92 105.88 18.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 14' ' ' ARG . . . . . 0.66 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 86.9 mtt180 -99.98 99.66 10.44 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.514 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -150.16 133.1 16.09 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.776 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 22.59 62.18 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 116.002 -0.544 . . . . 0.0 113.174 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 69.99 19.6 6.84 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.893 0.877 . . . . 0.0 112.002 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -138.76 133.69 32.51 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.133 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 19' ' ' CYS . . . . . 0.66 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 84.0 m -103.21 123.96 47.71 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.323 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 20' ' ' PHE . . . . . 0.408 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 37.6 p90 -129.6 159.85 67.49 Favored Pre-proline 0 CA--C 1.548 0.869 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 21' ' ' PRO . . . . . 0.494 ' HA ' ' OD2' ' X' ' 24' ' ' ASP . 6.3 Cg_exo -79.58 135.05 11.41 Favored 'Trans proline' 0 C--N 1.382 2.296 0 C-N-CA 122.272 1.982 . . . . 0.0 112.925 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -164.7 -50.29 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.174 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -92.44 -5.61 51.62 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.263 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 24' ' ' ASP . . . . . 0.494 ' OD2' ' HA ' ' X' ' 21' ' ' PRO . 4.3 p-10 -97.15 92.18 5.91 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.185 0.517 . . . . 0.0 111.241 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.786 179.451 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.581 0.229 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.69 93.88 0.14 Allowed Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.532 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.32 120.92 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 O-C-N 123.637 0.257 . . . . 0.0 111.295 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -100.32 138.92 36.73 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.828 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 8.1 t 63.28 114.09 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 123.745 0.818 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.28 -71.13 0.04 OUTLIER Glycine 0 C--N 1.339 0.709 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.526 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 19.6 p -134.99 120.07 18.72 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.659 0.27 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 87.6 m -95.52 151.33 38.49 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.71 165.49 18.23 Favored 'Trans proline' 0 C--N 1.372 1.796 0 C-N-CA 122.693 2.262 . . . . 0.0 113.109 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 15.6 t -76.99 128.96 35.46 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.541 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.27 41.68 2.74 Favored Glycine 0 C--N 1.336 0.579 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.594 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -137.52 160.15 39.94 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 122.383 0.273 . . . . 0.0 111.204 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 57.9 t -99.86 111.69 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 14' ' ' ARG . . . . . 0.673 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 94.3 mtt180 -100.0 99.77 10.57 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.529 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -149.38 136.57 19.9 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.78 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.35 22.98 61.62 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.873 -0.603 . . . . 0.0 113.054 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.24 19.52 6.56 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.084 0.954 . . . . 0.0 111.901 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -144.96 144.74 31.21 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.945 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 19' ' ' CYS . . . . . 0.673 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 80.3 m -102.35 125.43 49.06 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.207 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -127.62 158.73 69.11 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-O 119.111 -0.471 . . . . 0.0 111.353 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -79.32 135.66 12.14 Favored 'Trans proline' 0 C--N 1.38 2.199 0 C-N-CA 122.244 1.963 . . . . 0.0 112.733 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -164.83 -50.24 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.605 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.91 -26.29 34.23 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.642 0.589 . . . . 0.0 111.089 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -140.43 107.15 5.36 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.624 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 10.9 t80 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.546 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.511 0.196 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.12 -160.3 9.43 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.667 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.86 153.76 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 123.585 0.226 . . . . 0.0 111.319 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -127.32 -6.26 5.93 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.455 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 m -117.57 118.88 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.449 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.6 48.93 0.33 Allowed Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.53 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 19.8 p -140.16 164.67 29.44 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.753 0.325 . . . . 0.0 111.015 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 13.6 p -85.91 149.54 50.88 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -63.06 165.83 15.85 Favored 'Trans proline' 0 C--N 1.375 1.922 0 C-N-CA 123.035 2.49 . . . . 0.0 113.354 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.5 m -62.99 144.13 57.14 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.969 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.66 14.77 39.44 Favored Glycine 0 CA--C 1.523 0.584 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.514 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 12' ' ' TYR . . . . . 0.494 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 1.8 m-85 -106.87 167.22 10.03 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 122.743 0.417 . . . . 0.0 111.115 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 m -108.25 112.1 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 14' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 79.3 mtp180 -103.57 99.62 9.44 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.348 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 15' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 23.5 mmt180 -149.5 135.76 19.07 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.801 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.42 24.76 58.37 Favored Glycine 0 C--N 1.342 0.863 0 CA-C-N 115.918 -0.583 . . . . 0.0 113.001 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.15 19.51 6.67 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.078 0.951 . . . . 0.0 111.976 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -141.87 146.97 36.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.082 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 19' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 47.8 t -113.12 118.2 34.08 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.268 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -127.7 163.55 42.3 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.22 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -79.17 130.95 9.53 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.407 2.071 . . . . 0.0 112.878 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -161.2 -52.65 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.788 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -94.1 -7.14 43.35 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.216 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.9 -43.3 7.89 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.146 0.279 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.548 -0.739 . . . . 0.0 110.832 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.316 0.103 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.94 152.17 24.23 Favored Glycine 0 C--N 1.34 0.802 0 O-C-N 123.499 0.5 . . . . 0.0 112.591 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.3 122.88 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 122.279 0.231 . . . . 0.0 111.301 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -128.45 -34.12 2.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.477 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 m -117.35 127.2 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 123.44 0.462 . . . . 0.0 111.267 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.96 54.7 0.12 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.533 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -98.77 -31.81 11.69 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.739 0.317 . . . . 0.0 111.753 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 24.7 p -90.16 148.89 40.36 Favored Pre-proline 0 CA--C 1.539 0.53 0 O-C-N 123.327 0.392 . . . . 0.0 111.383 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.96 165.72 25.23 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.813 2.342 . . . . 0.0 113.131 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 13.9 t -62.38 141.03 58.53 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.795 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 11' ' ' GLY . . . . . 0.529 ' O ' ' HB2' ' X' ' 24' ' ' ASP . . . 109.19 6.47 29.61 Favored Glycine 0 C--N 1.336 0.571 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.555 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 12' ' ' TYR . . . . . 0.419 ' HD2' ' O ' ' X' ' 20' ' ' PHE . 7.5 m-85 -103.72 165.94 10.73 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 122.818 0.447 . . . . 0.0 111.17 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 59.9 t -99.84 102.9 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -100.37 99.58 10.24 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.438 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -149.88 132.18 15.53 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.628 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.39 32.75 33.68 Favored Glycine 0 C--N 1.343 0.959 0 O-C-N 123.601 0.563 . . . . 0.0 112.847 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 80.9 p 61.96 19.67 10.91 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.561 1.144 . . . . 0.0 112.935 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -136.78 146.35 45.62 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.939 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 19' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 45.4 t -115.0 123.12 48.27 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.189 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 20' ' ' PHE . . . . . 0.419 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 39.7 p90 -129.58 160.29 65.29 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-O 119.194 -0.432 . . . . 0.0 111.381 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -82.32 134.89 8.06 Favored 'Trans proline' 0 C--N 1.381 2.275 0 C-N-CA 122.392 2.062 . . . . 0.0 113.094 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -162.91 -52.22 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.626 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 23' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 7.6 t70 -94.86 -13.37 25.55 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.989 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 24' ' ' ASP . . . . . 0.529 ' HB2' ' O ' ' X' ' 11' ' ' GLY . 4.1 t70 -128.63 103.65 7.21 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 123.265 0.353 . . . . 0.0 110.294 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 . . . . . 0 N--CA 1.484 1.274 0 C-N-CA 123.96 0.904 . . . . 0.0 112.033 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.473 0.178 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.71 79.59 0.03 OUTLIER Glycine 0 C--N 1.336 0.564 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.33 121.79 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 O-C-N 123.623 0.249 . . . . 0.0 111.166 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -100.98 145.55 28.54 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.819 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.11 119.54 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.271 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.15 149.98 21.13 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.62 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -138.39 135.47 35.33 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.607 0.239 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 p -99.49 151.34 37.4 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.992 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -61.0 165.98 11.31 Favored 'Trans proline' 0 C--N 1.374 1.88 0 C-N-CA 123.067 2.512 . . . . 0.0 113.311 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 52.8 m -58.83 132.52 54.19 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.119 0.567 . . . . 0.0 112.064 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.6 34.9 4.82 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.292 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 12' ' ' TYR . . . . . 0.62 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 1.3 m-85 -130.2 166.45 20.24 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 122.64 0.376 . . . . 0.0 110.961 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 6.7 m -112.52 115.65 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.183 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 14' ' ' ARG . . . . . 0.534 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 98.6 mtt180 -100.17 99.24 9.91 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.342 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 15' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 25.1 mmt180 -152.47 135.49 15.64 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 50.0 5.57 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.987 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 13.4 t 49.85 19.39 0.43 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.924 1.289 . . . . 0.0 114.448 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -160.8 148.74 15.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.72 0.408 . . . . 0.0 110.923 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 19' ' ' CYS . . . . . 0.62 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 34.3 t -100.17 129.07 46.15 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.499 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -128.8 163.45 45.2 Favored Pre-proline 0 CA--C 1.55 0.957 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.373 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -80.52 132.17 8.81 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.471 2.114 . . . . 0.0 112.813 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -161.26 -52.35 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.753 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -91.29 0.68 57.48 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 123.591 0.557 . . . . 0.0 111.19 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.72 -43.06 9.79 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.022 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.886 179.741 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.501 0.191 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.87 53.07 0.02 OUTLIER Glycine 0 C--N 1.337 0.584 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.555 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.89 119.79 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 122.254 0.222 . . . . 0.0 111.244 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -107.82 -39.9 5.43 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.365 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 8.4 p -103.68 135.79 39.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -114.25 -130.89 5.11 Favored Glycine 0 C--N 1.338 0.651 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.454 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 20.1 p -109.71 -49.83 3.05 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.604 0.238 . . . . 0.0 111.224 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 78.9 m -97.62 149.26 35.52 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.017 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 9' ' ' PRO . . . . . 0.542 ' HG2' ' CD1' ' X' ' 12' ' ' TYR . 37.5 Cg_endo -66.83 165.5 25.65 Favored 'Trans proline' 0 C--N 1.373 1.821 0 C-N-CA 122.648 2.232 . . . . 0.0 113.048 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 43.8 p -77.43 130.7 37.39 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.775 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.9 44.56 3.07 Favored Glycine 0 C--N 1.338 0.688 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.293 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 12' ' ' TYR . . . . . 0.542 ' CD1' ' HG2' ' X' ' 9' ' ' PRO . 5.5 m-85 -135.01 162.92 31.09 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 122.529 0.332 . . . . 0.0 111.432 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 58.0 t -99.83 107.6 21.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 14' ' ' ARG . . . . . 0.654 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 97.2 mtt180 -99.99 99.78 10.58 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.547 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -149.03 130.45 14.75 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.584 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.42 32.28 34.98 Favored Glycine 0 C--N 1.342 0.914 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.784 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 74.0 p 61.65 19.72 10.7 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.579 1.152 . . . . 0.0 112.945 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -137.05 147.21 46.02 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.009 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 19' ' ' CYS . . . . . 0.654 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 71.3 m -112.89 122.79 48.7 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.392 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -127.96 158.78 69.62 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-O 119.139 -0.457 . . . . 0.0 111.171 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 21' ' ' PRO . . . . . 0.482 ' HA ' ' OD2' ' X' ' 24' ' ' ASP . 4.9 Cg_exo -80.59 133.63 9.49 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 122.276 1.984 . . . . 0.0 113.024 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -162.33 -51.87 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.805 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -88.55 -7.91 55.67 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.399 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 24' ' ' ASP . . . . . 0.482 ' OD2' ' HA ' ' X' ' 21' ' ' PRO . 3.8 p-10 -96.91 -44.78 6.88 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.109 0.256 . . . . 0.0 111.394 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.417 -0.802 . . . . 0.0 110.536 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.498 0.19 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.29 -144.79 10.59 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.496 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 m -137.67 116.82 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 123.683 0.284 . . . . 0.0 111.286 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -131.35 146.65 52.37 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 m -130.43 119.89 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.202 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.69 -54.21 0.19 Allowed Glycine 0 C--N 1.337 0.608 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.661 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.8 p -136.87 150.63 48.38 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.606 0.241 . . . . 0.0 111.362 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 67.2 m -94.4 153.17 40.49 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.191 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -63.96 165.62 18.51 Favored 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.744 2.296 . . . . 0.0 113.069 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 14.4 t -77.45 132.61 38.54 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.444 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 11' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' X' ' 23' ' ' ASP . . . 108.72 4.08 32.09 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.927 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -110.57 158.39 18.61 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 122.401 0.28 . . . . 0.0 111.253 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 47.7 t -99.99 115.88 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.555 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 14' ' ' ARG . . . . . 0.671 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 70.9 mtt180 -99.92 99.42 10.19 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.433 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 15' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' X' ' 14' ' ' ARG . 97.2 mtt180 -151.87 136.57 17.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.796 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.34 41.18 11.97 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.075 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 64.3 p 56.66 19.34 4.23 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.597 1.159 . . . . 0.0 113.538 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -157.88 150.37 22.52 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.712 0.405 . . . . 0.0 110.875 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 19' ' ' CYS . . . . . 0.671 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 57.9 m -100.0 131.96 45.64 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.509 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -125.71 160.34 56.63 Favored Pre-proline 0 CA--C 1.549 0.908 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.241 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -80.11 134.47 10.47 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.283 1.989 . . . . 0.0 112.975 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -163.8 -51.4 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.751 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 23' ' ' ASP . . . . . 0.515 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 7.2 t70 -91.06 -14.77 30.68 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.077 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 24' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' X' ' 11' ' ' GLY . 4.2 t70 -125.73 102.12 7.18 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 123.322 0.389 . . . . 0.0 110.22 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.597 -0.716 . . . . 0.0 110.587 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 10.5 t80 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.383 0.135 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.92 -55.69 0.59 Allowed Glycine 0 C--N 1.341 0.807 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -134.03 130.78 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 122.305 0.242 . . . . 0.0 111.277 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -99.96 -39.28 8.23 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.104 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.9 m -128.56 -38.92 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.736 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.49 154.01 6.24 Favored Glycine 0 C--N 1.336 0.561 0 O-C-N 123.592 0.558 . . . . 0.0 112.544 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -136.68 133.09 35.8 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 122.335 0.254 . . . . 0.0 111.16 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 8' ' ' CYS . . . . . 0.448 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 24.4 p -127.22 150.07 71.34 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.61 165.77 15.03 Favored 'Trans proline' 0 C--N 1.374 1.908 0 C-N-CA 122.916 2.411 . . . . 0.0 113.423 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 51.8 m -73.25 150.39 42.05 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.822 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.03 24.03 16.02 Favored Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.475 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 12' ' ' TYR . . . . . 0.401 ' HD2' ' O ' ' X' ' 20' ' ' PHE . 1.8 m-85 -131.32 168.7 17.1 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 122.824 0.45 . . . . 0.0 110.916 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 m -102.83 110.46 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 123.141 0.275 . . . . 0.0 110.482 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 14' ' ' ARG . . . . . 0.644 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 72.0 mtp180 -99.83 99.67 10.49 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.705 -179.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -149.67 134.69 17.97 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 34.81 27.81 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.891 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 67.3 p 60.76 19.48 9.6 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.753 1.221 . . . . 0.0 113.405 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -148.92 145.15 27.28 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.426 0.29 . . . . 0.0 111.148 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 19' ' ' CYS . . . . . 0.644 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 35.0 m -101.4 124.36 46.94 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.219 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 20' ' ' PHE . . . . . 0.401 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 36.3 p90 -128.68 163.51 44.59 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-O 119.179 -0.438 . . . . 0.0 111.252 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -80.88 133.08 8.93 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 122.412 2.075 . . . . 0.0 112.879 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -163.4 -51.72 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.527 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -89.12 3.57 51.39 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.061 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -88.06 -41.13 13.28 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.512 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.526 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 10.2 t80 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.286 0.089 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.51 143.73 15.96 Favored Glycine 0 C--N 1.34 0.753 0 O-C-N 123.531 0.52 . . . . 0.0 112.423 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 6.3 t 63.25 115.14 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 123.675 0.79 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -128.51 144.13 51.09 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.37 120.67 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 123.651 0.594 . . . . 0.0 111.324 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.09 -120.55 0.85 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -125.21 126.98 46.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.726 0.31 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 17.3 p -102.06 150.14 37.19 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -63.29 165.92 16.17 Favored 'Trans proline' 0 C--N 1.372 1.811 0 C-N-CA 122.904 2.403 . . . . 0.0 113.27 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 46.0 p -61.09 139.84 58.0 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.053 0.541 . . . . 0.0 112.068 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.39 38.05 3.86 Favored Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.261 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 12' ' ' TYR . . . . . 0.482 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 5.4 m-85 -133.57 162.16 32.66 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.688 0.395 . . . . 0.0 111.141 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -99.85 105.64 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 14' ' ' ARG . . . . . 0.497 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 79.4 mtp180 -102.73 99.61 9.59 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.4 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 15' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 22.7 mmt180 -149.47 131.12 14.95 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.511 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.37 31.86 36.42 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.893 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 78.8 p 61.85 19.78 10.91 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.574 1.149 . . . . 0.0 112.966 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -137.02 135.12 37.3 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.005 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 19' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 49.8 t -106.83 122.7 46.9 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.316 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 20' ' ' PHE . . . . . 0.407 ' O ' ' HD1' ' X' ' 12' ' ' TYR . 35.1 p90 -130.63 161.18 62.51 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-O 119.124 -0.465 . . . . 0.0 111.509 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 21' ' ' PRO . . . . . 0.449 ' HA ' ' OD2' ' X' ' 24' ' ' ASP . 4.6 Cg_exo -80.91 134.12 9.36 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 122.408 2.072 . . . . 0.0 112.887 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -162.94 -51.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.852 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -87.18 -6.89 58.45 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.418 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 24' ' ' ASP . . . . . 0.449 ' OD2' ' HA ' ' X' ' 21' ' ' PRO . 3.2 p-10 -95.76 -47.67 6.08 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.125 0.266 . . . . 0.0 111.228 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.444 ' HD2' ' OD1' ' X' ' 24' ' ' ASP . 79.7 m-85 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.838 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.561 0.22 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.39 -141.45 6.57 Favored Glycine 0 C--N 1.337 0.591 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.53 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.19 121.04 48.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 122.247 0.219 . . . . 0.0 111.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -128.98 149.54 50.77 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.85 127.24 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.295 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 110.06 73.32 0.74 Allowed Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.595 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 19.3 p -103.21 -43.16 5.53 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.709 0.3 . . . . 0.0 111.482 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 82.0 m -89.82 150.58 44.14 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.26 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.77 165.65 20.36 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.781 2.321 . . . . 0.0 113.22 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 14.1 t -75.73 139.26 41.79 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.467 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.59 34.37 5.81 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.442 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -133.11 167.2 20.76 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.714 0.406 . . . . 0.0 111.091 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.52 105.87 18.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 14' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -99.92 99.71 10.51 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.589 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -149.74 131.42 14.96 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.786 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.41 26.63 54.19 Favored Glycine 0 C--N 1.343 0.938 0 CA-C-N 116.056 -0.52 . . . . 0.0 113.186 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.11 19.58 6.7 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.026 0.93 . . . . 0.0 111.866 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -142.31 151.54 42.08 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.925 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 26.8 p -121.73 121.62 37.69 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.43 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -121.71 161.25 42.9 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.121 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -78.6 134.58 12.41 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.331 2.021 . . . . 0.0 112.886 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -166.67 -49.94 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.804 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -86.5 -16.35 37.26 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.153 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -106.28 95.89 6.08 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.07 0.462 . . . . 0.0 110.797 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.607 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 9.6 t80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.516 0.198 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.87 157.78 7.78 Favored Glycine 0 C--N 1.338 0.648 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.709 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.5 128.51 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 O-C-N 123.714 0.302 . . . . 0.0 111.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -105.31 153.44 21.62 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.971 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 4.5 m -118.08 132.65 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.256 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.61 90.71 0.09 OUTLIER Glycine 0 C--N 1.338 0.64 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.424 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -109.13 153.63 23.45 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.674 0.273 . . . . 0.0 111.28 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 8' ' ' CYS . . . . . 0.505 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 9.1 p -99.04 151.21 37.29 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -62.45 165.72 14.8 Favored 'Trans proline' 0 C--N 1.374 1.91 0 C-N-CA 122.988 2.459 . . . . 0.0 113.34 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 43.1 p -69.47 142.95 53.65 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.805 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.34 31.15 6.96 Favored Glycine 0 C--N 1.339 0.706 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.384 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -135.45 161.62 34.95 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 122.835 0.454 . . . . 0.0 111.068 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 37.8 t -99.97 114.27 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 14' ' ' ARG . . . . . 0.66 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 93.5 mtt180 -99.97 99.43 10.19 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.626 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 15' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 12.8 mmm180 -150.82 135.17 17.0 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.615 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.51 40.17 13.42 Favored Glycine 0 C--N 1.341 0.838 0 O-C-N 123.611 0.569 . . . . 0.0 113.006 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 64.4 p 57.48 19.31 5.14 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 124.594 1.158 . . . . 0.0 113.597 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -156.42 149.32 23.98 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.564 0.346 . . . . 0.0 110.727 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 19' ' ' CYS . . . . . 0.66 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 29.6 m -100.03 128.95 46.04 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.58 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -119.25 159.88 43.62 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-O 119.073 -0.489 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -79.52 135.95 12.07 Favored 'Trans proline' 0 C--N 1.38 2.194 0 C-N-CA 122.197 1.932 . . . . 0.0 113.252 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -167.39 -50.31 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.819 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -106.95 15.02 25.83 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.954 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -78.02 98.22 5.64 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.141 0.496 . . . . 0.0 111.469 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.94 179.812 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.501 0.191 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.51 -85.9 1.71 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.488 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.48 120.33 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 O-C-N 123.642 0.26 . . . . 0.0 111.313 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -128.66 145.96 51.01 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.802 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.12 120.18 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.335 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.79 -158.18 14.45 Favored Glycine 0 C--N 1.337 0.603 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.548 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -103.69 -38.64 7.0 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 75.6 m -94.65 149.66 36.82 Favored Pre-proline 0 CA--C 1.537 0.477 0 O-C-N 123.451 0.47 . . . . 0.0 111.137 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 9' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' X' ' 12' ' ' TYR . 36.9 Cg_endo -65.83 165.63 22.91 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.763 2.309 . . . . 0.0 113.121 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.7 m -78.16 140.85 38.98 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.645 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 11' ' ' GLY . . . . . 0.54 ' O ' ' HB2' ' X' ' 24' ' ' ASP . . . 94.83 16.28 42.53 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.885 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 12' ' ' TYR . . . . . 0.482 ' CD1' ' HG2' ' X' ' 9' ' ' PRO . 3.4 m-85 -109.54 163.65 13.25 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 122.604 0.362 . . . . 0.0 111.158 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.88 112.39 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 14' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' X' ' 15' ' ' ARG . 62.2 mtp180 -99.88 99.38 10.15 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.498 -179.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 15' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' X' ' 14' ' ' ARG . 97.2 mtt180 -151.6 135.96 16.83 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.685 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.48 42.57 10.13 Favored Glycine 0 C--N 1.341 0.83 0 O-C-N 123.613 0.571 . . . . 0.0 113.094 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 62.1 p 56.22 19.28 3.77 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.467 1.107 . . . . 0.0 113.761 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -159.5 148.84 18.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.825 0.45 . . . . 0.0 110.912 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 26.7 p -100.03 134.65 42.63 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.696 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -125.97 161.12 53.32 Favored Pre-proline 0 CA--C 1.55 0.953 0 O-C-N 123.495 0.497 . . . . 0.0 111.114 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.02 135.16 10.95 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 122.326 2.018 . . . . 0.0 112.876 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -164.94 -51.3 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.773 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 23' ' ' ASP . . . . . 0.431 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 7.8 t70 -95.86 -14.34 23.27 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.912 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 24' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' X' ' 11' ' ' GLY . 4.0 t70 -127.61 105.68 8.64 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 123.336 0.398 . . . . 0.0 110.41 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 . . . . . 0 C--O 1.252 1.213 0 CA-C-O 118.493 -0.765 . . . . 0.0 110.954 179.828 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.96 38.41 3.15 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.256 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . 0.416 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 7.5 m-85 -133.74 163.4 29.54 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 122.693 0.397 . . . . 0.0 111.075 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -99.92 103.63 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 84.2 mtm180 -100.45 99.6 10.24 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.363 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 22.4 mmt180 -148.81 132.85 17.22 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.556 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.37 32.74 33.78 Favored Glycine 0 C--N 1.342 0.876 0 O-C-N 123.549 0.531 . . . . 0.0 112.813 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 82.7 p 62.12 19.78 11.14 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.576 1.151 . . . . 0.0 113.001 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -137.35 145.84 43.82 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.021 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 48.8 t -113.37 121.73 45.24 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.257 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . 0.414 ' O ' ' HD1' ' X' ' 12' ' ' TYR . 38.2 p90 -128.63 160.54 62.27 Favored Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.486 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -82.68 133.63 7.09 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.371 2.047 . . . . 0.0 113.066 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -161.21 -52.49 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.71 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 CA--C 1.542 0.659 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.214 179.544 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.6 m . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.11 41.41 3.76 Favored Glycine 0 C--N 1.336 0.566 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.427 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -132.84 167.61 19.89 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 122.631 0.372 . . . . 0.0 111.258 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 m -102.02 107.31 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.724 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . 0.666 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 93.3 mtt180 -100.11 99.64 10.38 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.514 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -150.3 134.43 17.02 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.48 22.16 62.95 Favored Glycine 0 C--N 1.342 0.877 0 O-C-N 123.598 0.561 . . . . 0.0 113.118 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.15 19.45 6.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.947 0.899 . . . . 0.0 112.01 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -140.81 136.8 32.8 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.961 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . 0.666 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 76.3 m -104.22 121.98 44.42 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.504 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -131.23 163.38 49.75 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.68 131.45 9.28 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.362 2.041 . . . . 0.0 112.825 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -161.85 -52.34 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.755 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 . . . . . 0 CA--C 1.541 0.625 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.229 179.537 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.6 m . . . . . 0 N--CA 1.47 0.541 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.93 32.2 5.98 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.388 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -135.27 165.73 24.76 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 122.766 0.426 . . . . 0.0 110.883 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 44.3 t -99.85 111.49 29.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . 0.678 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 97.8 mtt180 -99.9 99.54 10.33 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.653 -179.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -150.89 135.45 17.15 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.53 40.5 12.72 Favored Glycine 0 C--N 1.341 0.835 0 CA-C-N 115.977 -0.556 . . . . 0.0 113.03 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 69.8 p 57.73 19.4 5.53 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.669 1.188 . . . . 0.0 113.667 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -156.57 151.08 25.58 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.542 0.337 . . . . 0.0 111.016 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . 0.678 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 21.5 m -100.04 132.98 45.07 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.363 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -128.42 159.53 67.08 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.295 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -79.66 137.39 12.8 Favored 'Trans proline' 0 C--N 1.38 2.184 0 C-N-CA 122.377 2.052 . . . . 0.0 112.962 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -167.24 -49.97 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.455 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 t70 . . . . . 0 CA--C 1.538 0.518 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.875 179.292 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.67 34.27 4.75 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.43 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . 0.47 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 9.7 m-85 -131.91 160.57 35.37 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.675 0.39 . . . . 0.0 111.046 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -100.1 104.08 15.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . 0.499 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 84.3 mtm180 -100.31 99.65 10.34 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.397 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 24.5 mmt180 -149.43 136.12 19.46 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.683 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.38 33.03 32.88 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.848 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 81.3 p 62.83 19.57 11.59 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.672 1.189 . . . . 0.0 113.083 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -142.54 144.89 33.13 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.084 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . 0.47 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 42.3 t -109.85 123.88 50.35 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.72 0.638 . . . . 0.0 110.144 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . 0.417 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 35.0 p90 -127.97 161.36 56.35 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-O 119.081 -0.485 . . . . 0.0 111.672 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -82.8 133.01 6.67 Favored 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 122.316 2.011 . . . . 0.0 112.943 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -159.83 -52.92 0.06 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.763 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t70 . . . . . 0 CA--C 1.54 0.575 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.222 179.615 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 N--CA 1.468 0.472 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.54 29.47 8.26 Favored Glycine 0 C--N 1.338 0.668 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.746 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -121.69 163.44 19.03 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 122.499 0.32 . . . . 0.0 111.19 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t -99.76 106.48 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . 0.646 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 81.9 mtm180 -99.91 99.81 10.63 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.521 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -148.49 136.62 21.05 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.743 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.52 24.5 58.61 Favored Glycine 0 C--N 1.34 0.802 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.854 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.03 19.63 6.78 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.085 0.954 . . . . 0.0 111.968 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -141.59 148.04 38.61 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.158 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . 0.646 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 62.5 m -108.93 125.13 51.7 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.058 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -129.44 159.71 67.97 Favored Pre-proline 0 CA--C 1.548 0.866 0 O-C-N 123.354 0.408 . . . . 0.0 111.428 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.75 135.38 10.16 Favored 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 122.431 2.087 . . . . 0.0 112.818 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -163.89 -50.68 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.943 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 CA--C 1.536 0.429 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.06 179.517 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' X' ' 23' ' ' ASP . . . 98.21 17.76 28.55 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.546 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . 0.568 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 1.9 m-85 -109.97 166.42 10.95 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.885 0.474 . . . . 0.0 111.113 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' X' ' 19' ' ' CYS . 45.5 t -99.61 130.81 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . 0.514 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 67.8 mtm180 -131.11 110.92 11.53 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.461 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 9.3 mmm180 -145.72 113.72 6.52 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.683 0.278 . . . . 0.0 111.147 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.3 50.22 5.52 Favored Glycine 0 C--N 1.346 1.117 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.342 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 44.8 p 53.29 29.87 9.24 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.988 0.915 . . . . 0.0 111.866 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' X' ' 20' ' ' PHE . 62.5 t80 -135.84 141.56 44.7 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.538 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . 0.568 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 42.4 t -128.93 125.75 38.2 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.202 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . 0.495 ' HB3' ' CZ ' ' X' ' 18' ' ' PHE . 35.7 p90 -132.53 162.99 53.81 Favored Pre-proline 0 CA--C 1.548 0.885 0 O-C-N 123.4 0.438 . . . . 0.0 111.69 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.88 134.92 10.98 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 122.423 2.082 . . . . 0.0 112.929 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -165.91 -51.1 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.579 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 8.3 t70 . . . . . 0 CA--C 1.537 0.465 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.893 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 40.9 p . . . . . 0 N--CA 1.469 0.499 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.65 30.1 7.82 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.358 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -133.55 166.64 22.1 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.821 0.449 . . . . 0.0 110.857 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -99.67 108.74 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . 0.672 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 96.2 mtt180 -99.82 99.45 10.25 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.497 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -151.03 132.77 14.95 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.469 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.57 49.68 5.67 Favored Glycine 0 C--N 1.341 0.849 0 O-C-N 123.549 0.531 . . . . 0.0 112.887 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 13.0 t 50.06 19.42 0.48 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.001 1.32 . . . . 0.0 114.507 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -157.34 148.43 21.65 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.568 0.347 . . . . 0.0 110.984 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . 0.672 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 15.0 m -100.25 136.21 40.5 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.461 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -129.7 160.08 66.5 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-O 119.157 -0.449 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.88 134.98 8.61 Favored 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 122.245 1.963 . . . . 0.0 113.296 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -164.31 -51.69 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.676 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 t70 . . . . . 0 CA--C 1.539 0.531 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.226 179.514 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.74 37.8 3.36 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.386 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . 0.459 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 6.1 m-85 -132.0 162.2 31.31 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 122.738 0.415 . . . . 0.0 111.113 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.94 106.55 19.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 98.7 mtt180 -101.43 99.72 10.09 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.396 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 22.3 mmt180 -148.47 134.26 18.94 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.736 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.34 31.55 37.47 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.812 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 73.5 p 63.45 19.71 11.84 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.59 1.156 . . . . 0.0 112.782 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -138.65 149.19 44.92 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.988 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 49.0 t -113.81 121.46 44.08 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.085 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -126.7 160.35 59.11 Favored Pre-proline 0 CA--C 1.548 0.904 0 CA-C-O 119.189 -0.434 . . . . 0.0 111.524 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -82.64 133.92 7.27 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 122.222 1.948 . . . . 0.0 113.027 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -161.27 -52.57 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.723 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 . . . . . 0 CA--C 1.54 0.586 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.252 179.538 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 42.5 p . . . . . 0 N--CA 1.47 0.554 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.31 40.97 3.82 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.451 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . 0.408 ' HD2' ' O ' ' X' ' 20' ' ' PHE . 6.8 m-85 -135.1 163.38 30.05 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.606 0.362 . . . . 0.0 111.446 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.92 105.88 18.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . 0.66 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 86.9 mtt180 -99.98 99.66 10.44 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.514 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -150.16 133.1 16.09 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.776 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 22.59 62.18 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 116.002 -0.544 . . . . 0.0 113.174 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 69.99 19.6 6.84 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.893 0.877 . . . . 0.0 112.002 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -138.76 133.69 32.51 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.133 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . 0.66 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 84.0 m -103.21 123.96 47.71 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.323 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . 0.408 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 37.6 p90 -129.6 159.85 67.49 Favored Pre-proline 0 CA--C 1.548 0.869 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.58 135.05 11.41 Favored 'Trans proline' 0 C--N 1.382 2.296 0 C-N-CA 122.272 1.982 . . . . 0.0 112.925 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -164.7 -50.29 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.174 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 CA--C 1.54 0.595 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.263 179.806 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 15.6 t . . . . . 0 N--CA 1.47 0.559 0 CA-C-O 120.616 0.246 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.27 41.68 2.74 Favored Glycine 0 C--N 1.336 0.579 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.594 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -137.52 160.15 39.94 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 122.383 0.273 . . . . 0.0 111.204 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 57.9 t -99.86 111.69 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . 0.673 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 94.3 mtt180 -100.0 99.77 10.57 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.529 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -149.38 136.57 19.9 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.78 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.35 22.98 61.62 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.873 -0.603 . . . . 0.0 113.054 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.24 19.52 6.56 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.084 0.954 . . . . 0.0 111.901 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -144.96 144.74 31.21 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.945 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . 0.673 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 80.3 m -102.35 125.43 49.06 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.207 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -127.62 158.73 69.11 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-O 119.111 -0.471 . . . . 0.0 111.353 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -79.32 135.66 12.14 Favored 'Trans proline' 0 C--N 1.38 2.199 0 C-N-CA 122.244 1.963 . . . . 0.0 112.733 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -164.83 -50.24 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.605 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.3 t70 . . . . . 0 CA--C 1.54 0.564 0 O-C-N 123.642 0.589 . . . . 0.0 111.089 179.354 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.66 14.77 39.44 Favored Glycine 0 CA--C 1.523 0.584 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.514 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . 0.494 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 1.8 m-85 -106.87 167.22 10.03 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 122.743 0.417 . . . . 0.0 111.115 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 m -108.25 112.1 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 79.3 mtp180 -103.57 99.62 9.44 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.348 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 23.5 mmt180 -149.5 135.76 19.07 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.801 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.42 24.76 58.37 Favored Glycine 0 C--N 1.342 0.863 0 CA-C-N 115.918 -0.583 . . . . 0.0 113.001 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.15 19.51 6.67 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.078 0.951 . . . . 0.0 111.976 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -141.87 146.97 36.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.082 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 47.8 t -113.12 118.2 34.08 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.268 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -127.7 163.55 42.3 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.22 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -79.17 130.95 9.53 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.407 2.071 . . . . 0.0 112.878 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -161.2 -52.65 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.788 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 . . . . . 0 CA--C 1.539 0.534 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.216 179.566 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 13.9 t . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . 0.481 ' O ' ' HB3' ' X' ' 23' ' ' ASP . . . 109.19 6.47 29.61 Favored Glycine 0 C--N 1.336 0.571 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.555 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . 0.419 ' HD2' ' O ' ' X' ' 20' ' ' PHE . 7.5 m-85 -103.72 165.94 10.73 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 122.818 0.447 . . . . 0.0 111.17 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 59.9 t -99.84 102.9 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -100.37 99.58 10.24 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.438 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -149.88 132.18 15.53 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.628 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.39 32.75 33.68 Favored Glycine 0 C--N 1.343 0.959 0 O-C-N 123.601 0.563 . . . . 0.0 112.847 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 80.9 p 61.96 19.67 10.91 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.561 1.144 . . . . 0.0 112.935 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -136.78 146.35 45.62 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.939 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 45.4 t -115.0 123.12 48.27 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.189 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . 0.419 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 39.7 p90 -129.58 160.29 65.29 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-O 119.194 -0.432 . . . . 0.0 111.381 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -82.32 134.89 8.06 Favored 'Trans proline' 0 C--N 1.381 2.275 0 C-N-CA 122.392 2.062 . . . . 0.0 113.094 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -162.91 -52.22 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.626 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 7.6 t70 . . . . . 0 CA--C 1.536 0.433 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.989 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 52.8 m . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.6 34.9 4.82 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.292 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . 0.62 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 1.3 m-85 -130.2 166.45 20.24 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 122.64 0.376 . . . . 0.0 110.961 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 6.7 m -112.52 115.65 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.183 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . 0.534 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 98.6 mtt180 -100.17 99.24 9.91 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.342 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 25.1 mmt180 -152.47 135.49 15.64 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 50.0 5.57 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.987 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 13.4 t 49.85 19.39 0.43 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.924 1.289 . . . . 0.0 114.448 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -160.8 148.74 15.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.72 0.408 . . . . 0.0 110.923 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . 0.62 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 34.3 t -100.17 129.07 46.15 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.499 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -128.8 163.45 45.2 Favored Pre-proline 0 CA--C 1.55 0.957 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.373 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -80.52 132.17 8.81 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.471 2.114 . . . . 0.0 112.813 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -161.26 -52.35 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.753 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 CA--C 1.543 0.679 0 O-C-N 123.591 0.557 . . . . 0.0 111.19 179.544 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 43.8 p . . . . . 0 N--CA 1.468 0.468 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.9 44.56 3.07 Favored Glycine 0 C--N 1.338 0.688 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.293 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -135.01 162.92 31.09 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 122.529 0.332 . . . . 0.0 111.432 -179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 58.0 t -99.83 107.6 21.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . 0.654 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 97.2 mtt180 -99.99 99.78 10.58 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.547 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -149.03 130.45 14.75 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.584 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.42 32.28 34.98 Favored Glycine 0 C--N 1.342 0.914 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.784 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 74.0 p 61.65 19.72 10.7 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.579 1.152 . . . . 0.0 112.945 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -137.05 147.21 46.02 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.009 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . 0.654 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 71.3 m -112.89 122.79 48.7 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.392 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -127.96 158.78 69.62 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-O 119.139 -0.457 . . . . 0.0 111.171 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -80.59 133.63 9.49 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 122.276 1.984 . . . . 0.0 113.024 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -162.33 -51.87 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.805 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 t70 . . . . . 0 CA--C 1.54 0.594 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.399 179.64 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 120.571 0.224 . . . . 0.0 111.444 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' X' ' 23' ' ' ASP . . . 108.72 4.08 32.09 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.927 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -110.57 158.39 18.61 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 122.401 0.28 . . . . 0.0 111.253 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 47.7 t -99.99 115.88 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.555 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . 0.671 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 70.9 mtt180 -99.92 99.42 10.19 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.433 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' X' ' 14' ' ' ARG . 97.2 mtt180 -151.87 136.57 17.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.796 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.34 41.18 11.97 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.075 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 64.3 p 56.66 19.34 4.23 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.597 1.159 . . . . 0.0 113.538 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -157.88 150.37 22.52 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.712 0.405 . . . . 0.0 110.875 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . 0.671 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 57.9 m -100.0 131.96 45.64 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.509 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -125.71 160.34 56.63 Favored Pre-proline 0 CA--C 1.549 0.908 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.241 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -80.11 134.47 10.47 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.283 1.989 . . . . 0.0 112.975 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -163.8 -51.4 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.751 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . 0.515 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 7.2 t70 . . . . . 0 CA--C 1.537 0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.077 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.47 0.536 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.03 24.03 16.02 Favored Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.475 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . 0.401 ' HD2' ' O ' ' X' ' 20' ' ' PHE . 1.8 m-85 -131.32 168.7 17.1 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 122.824 0.45 . . . . 0.0 110.916 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 m -102.83 110.46 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 123.141 0.275 . . . . 0.0 110.482 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . 0.644 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 72.0 mtp180 -99.83 99.67 10.49 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.705 -179.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -149.67 134.69 17.97 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 34.81 27.81 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.891 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 67.3 p 60.76 19.48 9.6 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.753 1.221 . . . . 0.0 113.405 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -148.92 145.15 27.28 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.426 0.29 . . . . 0.0 111.148 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . 0.644 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 35.0 m -101.4 124.36 46.94 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.219 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . 0.401 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 36.3 p90 -128.68 163.51 44.59 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-O 119.179 -0.438 . . . . 0.0 111.252 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -80.88 133.08 8.93 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 122.412 2.075 . . . . 0.0 112.879 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -163.4 -51.72 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.527 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 CA--C 1.543 0.692 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.061 179.312 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 46.0 p . . . . . 0 N--CA 1.472 0.667 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.39 38.05 3.86 Favored Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.261 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . 0.482 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 5.4 m-85 -133.57 162.16 32.66 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.688 0.395 . . . . 0.0 111.141 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -99.85 105.64 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . 0.497 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 79.4 mtp180 -102.73 99.61 9.59 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.4 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 22.7 mmt180 -149.47 131.12 14.95 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.511 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.37 31.86 36.42 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.893 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 78.8 p 61.85 19.78 10.91 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.574 1.149 . . . . 0.0 112.966 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -137.02 135.12 37.3 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.005 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 49.8 t -106.83 122.7 46.9 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.316 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . 0.407 ' O ' ' HD1' ' X' ' 12' ' ' TYR . 35.1 p90 -130.63 161.18 62.51 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-O 119.124 -0.465 . . . . 0.0 111.509 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -80.91 134.12 9.36 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 122.408 2.072 . . . . 0.0 112.887 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -162.94 -51.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.852 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 CA--C 1.541 0.634 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.418 179.761 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.47 0.528 0 CA-C-O 120.574 0.226 . . . . 0.0 111.467 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.59 34.37 5.81 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.442 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -133.11 167.2 20.76 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.714 0.406 . . . . 0.0 111.091 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.52 105.87 18.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -99.92 99.71 10.51 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.589 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -149.74 131.42 14.96 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.786 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.41 26.63 54.19 Favored Glycine 0 C--N 1.343 0.938 0 CA-C-N 116.056 -0.52 . . . . 0.0 113.186 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.11 19.58 6.7 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.026 0.93 . . . . 0.0 111.866 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -142.31 151.54 42.08 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.925 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 26.8 p -121.73 121.62 37.69 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.43 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -121.71 161.25 42.9 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.121 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -78.6 134.58 12.41 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.331 2.021 . . . . 0.0 112.886 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -166.67 -49.94 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.804 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 . . . . . 0 CA--C 1.538 0.49 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.153 179.396 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 43.1 p . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.34 31.15 6.96 Favored Glycine 0 C--N 1.339 0.706 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.384 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -135.45 161.62 34.95 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 122.835 0.454 . . . . 0.0 111.068 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 37.8 t -99.97 114.27 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . 0.66 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 93.5 mtt180 -99.97 99.43 10.19 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.626 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 12.8 mmm180 -150.82 135.17 17.0 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.615 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.51 40.17 13.42 Favored Glycine 0 C--N 1.341 0.838 0 O-C-N 123.611 0.569 . . . . 0.0 113.006 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 64.4 p 57.48 19.31 5.14 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 124.594 1.158 . . . . 0.0 113.597 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -156.42 149.32 23.98 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.564 0.346 . . . . 0.0 110.727 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . 0.66 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 29.6 m -100.03 128.95 46.04 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.58 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -119.25 159.88 43.62 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-O 119.073 -0.489 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -79.52 135.95 12.07 Favored 'Trans proline' 0 C--N 1.38 2.194 0 C-N-CA 122.197 1.932 . . . . 0.0 113.252 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -167.39 -50.31 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.819 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 CA--C 1.541 0.622 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.954 179.754 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.7 m . . . . . 0 N--CA 1.469 0.512 0 CA-C-O 120.632 0.253 . . . . 0.0 111.645 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' X' X ' 11' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' X' ' 23' ' ' ASP . . . 94.83 16.28 42.53 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.885 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -109.54 163.65 13.25 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 122.604 0.362 . . . . 0.0 111.158 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.88 112.39 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 14' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' X' ' 15' ' ' ARG . 62.2 mtp180 -99.88 99.38 10.15 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.498 -179.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 15' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' X' ' 14' ' ' ARG . 97.2 mtt180 -151.6 135.96 16.83 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.685 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.48 42.57 10.13 Favored Glycine 0 C--N 1.341 0.83 0 O-C-N 123.613 0.571 . . . . 0.0 113.094 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 62.1 p 56.22 19.28 3.77 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.467 1.107 . . . . 0.0 113.761 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -159.5 148.84 18.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.825 0.45 . . . . 0.0 110.912 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 26.7 p -100.03 134.65 42.63 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.696 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -125.97 161.12 53.32 Favored Pre-proline 0 CA--C 1.55 0.953 0 O-C-N 123.495 0.497 . . . . 0.0 111.114 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.02 135.16 10.95 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 122.326 2.018 . . . . 0.0 112.876 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -164.94 -51.3 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.773 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 23' ' ' ASP . . . . . 0.431 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 7.8 t70 . . . . . 0 CA--C 1.537 0.444 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.912 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 120.486 0.184 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.69 158.32 27.31 Favored Glycine 0 C--N 1.336 0.561 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.555 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -129.2 120.38 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 O-C-N 123.555 0.209 . . . . 0.0 111.293 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -121.18 137.92 54.45 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.798 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.41 119.47 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.232 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -157.86 160.8 31.01 Favored Glycine 0 C--N 1.337 0.627 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.649 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 19.5 p -98.84 -44.38 6.39 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 122.284 0.234 . . . . 0.0 111.421 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 24.6 p -109.6 148.96 39.21 Favored Pre-proline 0 CA--C 1.537 0.449 0 O-C-N 123.551 0.532 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.18 165.86 20.69 Favored 'Trans proline' 0 C--N 1.373 1.834 0 C-N-CA 122.836 2.357 . . . . 0.0 113.127 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 13.8 t -61.34 139.26 58.21 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.825 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.96 38.41 3.15 Favored Glycine 0 C--N 1.336 0.549 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.256 -179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . 0.416 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 7.5 m-85 -133.74 163.4 29.54 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 122.693 0.397 . . . . 0.0 111.075 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 60.9 t -99.92 103.63 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 84.2 mtm180 -100.45 99.6 10.24 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.363 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 22.4 mmt180 -148.81 132.85 17.22 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.556 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.37 32.74 33.78 Favored Glycine 0 C--N 1.342 0.876 0 O-C-N 123.549 0.531 . . . . 0.0 112.813 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 82.7 p 62.12 19.78 11.14 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.576 1.151 . . . . 0.0 113.001 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -137.35 145.84 43.82 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.021 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 48.8 t -113.37 121.73 45.24 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.257 179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . 0.414 ' O ' ' HD1' ' X' ' 12' ' ' TYR . 38.2 p90 -128.63 160.54 62.27 Favored Pre-proline 0 CA--C 1.549 0.905 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.486 -179.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -82.68 133.63 7.09 Favored 'Trans proline' 0 C--N 1.38 2.227 0 C-N-CA 122.371 2.047 . . . . 0.0 113.066 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -161.21 -52.49 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.71 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -90.94 -4.96 56.08 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.214 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -95.17 -42.54 8.52 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 123.281 0.363 . . . . 0.0 110.852 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.536 -0.745 . . . . 0.0 110.834 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.528 0.204 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -148.12 147.78 18.7 Favored Glycine 0 C--N 1.336 0.575 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.559 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.59 133.26 37.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 O-C-N 123.675 0.279 . . . . 0.0 111.306 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -129.26 141.29 51.16 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.668 0.605 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 t 64.46 123.35 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 C-N-CA 123.821 0.848 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.35 86.95 1.94 Allowed Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.561 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 20.0 p -111.58 -49.66 2.98 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 122.27 0.228 . . . . 0.0 111.429 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 57.0 m -95.0 149.01 35.62 Favored Pre-proline 0 CA--C 1.538 0.507 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.068 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . 0.454 ' HG2' ' CD2' ' X' ' 12' ' ' TYR . 37.1 Cg_endo -66.21 165.56 23.99 Favored 'Trans proline' 0 C--N 1.373 1.855 0 C-N-CA 122.684 2.256 . . . . 0.0 113.148 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.6 m -78.66 130.6 36.05 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.629 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.11 41.41 3.76 Favored Glycine 0 C--N 1.336 0.566 0 CA-C-N 115.767 -0.651 . . . . 0.0 112.427 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . 0.454 ' CD2' ' HG2' ' X' ' 9' ' ' PRO . 2.6 m-85 -132.84 167.61 19.89 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 122.631 0.372 . . . . 0.0 111.258 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 m -102.02 107.31 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.724 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . 0.666 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 93.3 mtt180 -100.11 99.64 10.38 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.514 -179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -150.3 134.43 17.02 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.48 22.16 62.95 Favored Glycine 0 C--N 1.342 0.877 0 O-C-N 123.598 0.561 . . . . 0.0 113.118 -179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.15 19.45 6.7 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.947 0.899 . . . . 0.0 112.01 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -140.81 136.8 32.8 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.961 179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . 0.666 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 76.3 m -104.22 121.98 44.42 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.504 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -131.23 163.38 49.75 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.68 131.45 9.28 Favored 'Trans proline' 0 C--N 1.382 2.334 0 C-N-CA 122.362 2.041 . . . . 0.0 112.825 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -161.85 -52.34 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.755 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -91.95 -3.81 55.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.229 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -95.47 -43.4 8.0 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.208 0.317 . . . . 0.0 110.966 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 . . . . . 0 C--O 1.252 1.195 0 CA-C-O 118.526 -0.75 . . . . 0.0 110.881 179.88 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.427 0.156 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -108.62 -59.5 0.54 Allowed Glycine 0 C--N 1.336 0.557 0 O-C-N 123.658 0.599 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -134.68 145.91 31.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 123.596 0.233 . . . . 0.0 111.278 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -115.55 138.24 51.25 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.44 -39.89 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.6 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -103.64 125.13 8.33 Favored Glycine 0 C--N 1.337 0.596 0 O-C-N 123.564 0.54 . . . . 0.0 112.504 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 7.3 t -137.51 134.46 35.74 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.292 0.237 . . . . 0.0 110.944 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 24.4 p -127.53 149.69 70.81 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.1 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.67 165.62 20.19 Favored 'Trans proline' 0 C--N 1.372 1.799 0 C-N-CA 122.977 2.451 . . . . 0.0 113.238 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.6 m -70.24 142.7 52.32 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.764 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.93 32.2 5.98 Favored Glycine 0 C--N 1.337 0.602 0 CA-C-N 115.666 -0.697 . . . . 0.0 112.388 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -135.27 165.73 24.76 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 122.766 0.426 . . . . 0.0 110.883 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 44.3 t -99.85 111.49 29.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . 0.678 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 97.8 mtt180 -99.9 99.54 10.33 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.653 -179.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -150.89 135.45 17.15 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.53 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.53 40.5 12.72 Favored Glycine 0 C--N 1.341 0.835 0 CA-C-N 115.977 -0.556 . . . . 0.0 113.03 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 69.8 p 57.73 19.4 5.53 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 124.669 1.188 . . . . 0.0 113.667 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -156.57 151.08 25.58 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.542 0.337 . . . . 0.0 111.016 178.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . 0.678 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 21.5 m -100.04 132.98 45.07 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.363 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 40.1 p90 -128.42 159.53 67.08 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.295 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -79.66 137.39 12.8 Favored 'Trans proline' 0 C--N 1.38 2.184 0 C-N-CA 122.377 2.052 . . . . 0.0 112.962 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . 0.449 ' HA ' ' OH ' ' X' ' 25' ' ' TYR . 10.7 t70 -167.24 -49.97 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.455 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -85.6 -29.33 24.18 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.875 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -142.98 112.08 6.59 Favored 'General case' 0 C--O 1.238 0.459 0 O-C-N 123.345 0.403 . . . . 0.0 110.561 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.449 ' OH ' ' HA ' ' X' ' 22' ' ' ASP . 89.1 m-85 . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.433 -0.794 . . . . 0.0 110.813 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 120.288 0.089 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -127.82 -55.29 0.12 Allowed Glycine 0 C--N 1.34 0.766 0 O-C-N 123.497 0.498 . . . . 0.0 112.515 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.99 152.18 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 122.288 0.235 . . . . 0.0 111.398 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -97.09 -43.69 7.3 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.485 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 4.9 m -133.27 119.54 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 123.388 0.43 . . . . 0.0 111.274 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.75 162.55 9.58 Favored Glycine 0 C--N 1.338 0.643 0 O-C-N 123.687 0.617 . . . . 0.0 112.615 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -98.56 -44.28 6.52 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 122.295 0.238 . . . . 0.0 111.436 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 22.4 p -110.02 150.03 40.86 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.044 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.52 165.85 14.65 Favored 'Trans proline' 0 C--N 1.374 1.885 0 C-N-CA 122.957 2.438 . . . . 0.0 113.178 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 13.5 t -62.51 139.74 58.6 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.806 -179.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.67 34.27 4.75 Favored Glycine 0 C--N 1.336 0.547 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.43 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . 0.47 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 9.7 m-85 -131.91 160.57 35.37 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 122.675 0.39 . . . . 0.0 111.046 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -100.1 104.08 15.65 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . 0.499 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 84.3 mtm180 -100.31 99.65 10.34 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.397 -179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 24.5 mmt180 -149.43 136.12 19.46 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.683 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.38 33.03 32.88 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-N 115.945 -0.571 . . . . 0.0 112.848 -179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 81.3 p 62.83 19.57 11.59 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 124.672 1.189 . . . . 0.0 113.083 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 12.1 p90 -142.54 144.89 33.13 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.084 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . 0.47 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 42.3 t -109.85 123.88 50.35 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.72 0.638 . . . . 0.0 110.144 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . 0.417 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 35.0 p90 -127.97 161.36 56.35 Favored Pre-proline 0 CA--C 1.548 0.88 0 CA-C-O 119.081 -0.485 . . . . 0.0 111.672 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -82.8 133.01 6.67 Favored 'Trans proline' 0 C--N 1.38 2.226 0 C-N-CA 122.316 2.011 . . . . 0.0 112.943 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -159.83 -52.92 0.06 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.763 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.19 -6.31 53.63 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.222 179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -97.79 -42.45 7.58 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 123.205 0.316 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 12.7 t80 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.452 -0.785 . . . . 0.0 110.534 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.556 0.217 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 131.86 149.83 6.45 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.508 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -137.3 119.92 20.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 O-C-N 123.655 0.268 . . . . 0.0 111.282 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -104.39 146.4 28.89 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.685 0.616 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 p -108.49 143.73 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.609 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 150.53 135.87 2.45 Favored Glycine 0 C--N 1.338 0.691 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.495 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.4 p -98.3 147.21 24.89 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.661 0.271 . . . . 0.0 111.181 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 64.2 m -90.47 149.24 40.57 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.165 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . 0.516 ' HG2' ' CD1' ' X' ' 12' ' ' TYR . 36.4 Cg_endo -65.34 165.53 22.05 Favored 'Trans proline' 0 C--N 1.371 1.757 0 C-N-CA 122.671 2.247 . . . . 0.0 113.084 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 55.7 m -80.05 134.65 36.22 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.672 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . 0.564 ' O ' ' HB2' ' X' ' 24' ' ' ASP . . . 96.54 29.47 8.26 Favored Glycine 0 C--N 1.338 0.668 0 CA-C-N 115.679 -0.692 . . . . 0.0 112.746 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . 0.516 ' CD1' ' HG2' ' X' ' 9' ' ' PRO . 5.0 m-85 -121.69 163.44 19.03 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 122.499 0.32 . . . . 0.0 111.19 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 59.8 t -99.76 106.48 19.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . 0.646 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 81.9 mtm180 -99.91 99.81 10.63 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.521 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -148.49 136.62 21.05 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.743 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.52 24.5 58.61 Favored Glycine 0 C--N 1.34 0.802 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.854 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.03 19.63 6.78 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.085 0.954 . . . . 0.0 111.968 -179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -141.59 148.04 38.61 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.158 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . 0.646 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 62.5 m -108.93 125.13 51.7 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.058 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -129.44 159.71 67.97 Favored Pre-proline 0 CA--C 1.548 0.866 0 O-C-N 123.354 0.408 . . . . 0.0 111.428 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.75 135.38 10.16 Favored 'Trans proline' 0 C--N 1.382 2.304 0 C-N-CA 122.431 2.087 . . . . 0.0 112.818 179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -163.89 -50.68 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.943 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -90.91 -12.92 34.64 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.06 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . 0.564 ' HB2' ' O ' ' X' ' 11' ' ' GLY . 4.3 t70 -128.67 102.82 6.75 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 123.363 0.414 . . . . 0.0 110.237 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.985 179.808 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 10.1 t80 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.339 0.114 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.42 149.95 21.89 Favored Glycine 0 C--N 1.34 0.796 0 O-C-N 123.414 0.446 . . . . 0.0 112.492 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 m -134.36 134.94 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.438 0 O-C-N 123.658 0.27 . . . . 0.0 111.307 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -129.35 149.62 51.06 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.24 -39.3 0.65 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.799 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.53 -103.35 2.23 Favored Glycine 0 C--N 1.337 0.597 0 O-C-N 123.588 0.555 . . . . 0.0 112.598 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -98.79 151.6 20.61 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 122.331 0.252 . . . . 0.0 111.216 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 p -99.4 148.96 35.39 Favored Pre-proline 0 CA--C 1.537 0.476 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.149 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -65.6 165.8 21.82 Favored 'Trans proline' 0 C--N 1.373 1.856 0 C-N-CA 122.806 2.337 . . . . 0.0 113.184 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 14.6 t -61.07 141.29 57.52 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.935 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . 0.515 ' O ' ' HB2' ' X' ' 24' ' ' ASP . . . 98.21 17.76 28.55 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.546 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . 0.568 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 1.9 m-85 -109.97 166.42 10.95 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 122.885 0.474 . . . . 0.0 111.113 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . 0.509 ' O ' ' HA ' ' X' ' 19' ' ' CYS . 45.5 t -99.61 130.81 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . 0.514 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 67.8 mtm180 -131.11 110.92 11.53 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.461 -178.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 9.3 mmm180 -145.72 113.72 6.52 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.683 0.278 . . . . 0.0 111.147 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.3 50.22 5.52 Favored Glycine 0 C--N 1.346 1.117 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.342 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 44.8 p 53.29 29.87 9.24 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.988 0.915 . . . . 0.0 111.866 -179.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' X' ' 20' ' ' PHE . 62.5 t80 -135.84 141.56 44.7 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.538 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . 0.568 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 42.4 t -128.93 125.75 38.2 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.202 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . 0.495 ' HB3' ' CZ ' ' X' ' 18' ' ' PHE . 35.7 p90 -132.53 162.99 53.81 Favored Pre-proline 0 CA--C 1.548 0.885 0 O-C-N 123.4 0.438 . . . . 0.0 111.69 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -79.88 134.92 10.98 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 122.423 2.082 . . . . 0.0 112.929 178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -165.91 -51.1 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.579 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . 0.435 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 8.3 t70 -91.45 -19.96 22.27 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.893 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' X' ' 11' ' ' GLY . 4.5 t70 -131.9 107.3 8.63 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 123.34 0.4 . . . . 0.0 110.18 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 8.6 t80 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.106 -0.95 . . . . 0.0 110.524 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 N--CA 1.489 1.485 0 N-CA-C 111.244 0.09 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.77 148.97 5.71 Favored Glycine 0 C--N 1.34 0.756 0 O-C-N 123.5 0.5 . . . . 0.0 112.55 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.12 135.52 41.93 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 O-C-N 123.645 0.262 . . . . 0.0 111.259 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -129.32 149.85 50.93 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -131.23 -39.78 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.761 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 118.95 95.55 1.66 Allowed Glycine 0 C--N 1.338 0.662 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.598 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.4 p -139.49 133.16 30.51 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.704 0.296 . . . . 0.0 110.942 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . 0.445 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 25.0 p -99.67 148.79 35.22 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.141 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.51 165.7 24.26 Favored 'Trans proline' 0 C--N 1.374 1.887 0 C-N-CA 122.877 2.385 . . . . 0.0 113.309 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 40.9 p -70.21 145.87 51.11 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.743 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.65 30.1 7.82 Favored Glycine 0 C--N 1.338 0.673 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.358 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -133.55 166.64 22.1 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.821 0.449 . . . . 0.0 110.857 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 43.3 t -99.67 108.74 23.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . 0.672 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 96.2 mtt180 -99.82 99.45 10.25 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.497 -179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -151.03 132.77 14.95 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.469 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.57 49.68 5.67 Favored Glycine 0 C--N 1.341 0.849 0 O-C-N 123.549 0.531 . . . . 0.0 112.887 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 13.0 t 50.06 19.42 0.48 Allowed 'General case' 0 N--CA 1.49 1.547 0 C-N-CA 125.001 1.32 . . . . 0.0 114.507 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -157.34 148.43 21.65 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 122.568 0.347 . . . . 0.0 110.984 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . 0.672 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 15.0 m -100.25 136.21 40.5 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.461 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -129.7 160.08 66.5 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-O 119.157 -0.449 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.88 134.98 8.61 Favored 'Trans proline' 0 C--N 1.379 2.166 0 C-N-CA 122.245 1.963 . . . . 0.0 113.296 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -164.31 -51.69 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.676 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -92.39 -12.05 33.26 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.226 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -99.97 -43.82 6.25 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 123.202 0.314 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.819 179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 120.257 0.075 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -176.56 83.03 0.07 OUTLIER Glycine 0 C--N 1.34 0.779 0 O-C-N 123.476 0.485 . . . . 0.0 112.475 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 m -136.46 135.73 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 O-C-N 123.613 0.243 . . . . 0.0 111.235 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -108.24 128.29 54.59 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.43 -39.92 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.78 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.79 123.56 3.36 Favored Glycine 0 C--N 1.338 0.639 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.516 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -100.59 -43.7 6.09 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.644 0.261 . . . . 0.0 111.418 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 22.1 p -105.98 149.15 37.72 Favored Pre-proline 0 CA--C 1.538 0.497 0 O-C-N 123.523 0.515 . . . . 0.0 110.939 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -64.82 165.84 19.93 Favored 'Trans proline' 0 C--N 1.373 1.847 0 C-N-CA 122.848 2.365 . . . . 0.0 113.246 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.7 m -60.95 137.94 58.2 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.09 0.556 . . . . 0.0 112.041 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.74 37.8 3.36 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.386 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . 0.459 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 6.1 m-85 -132.0 162.2 31.31 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 122.738 0.415 . . . . 0.0 111.113 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.94 106.55 19.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . 0.48 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 98.7 mtt180 -101.43 99.72 10.09 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.396 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 22.3 mmt180 -148.47 134.26 18.94 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.736 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.34 31.55 37.47 Favored Glycine 0 C--N 1.341 0.86 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.812 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 73.5 p 63.45 19.71 11.84 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.59 1.156 . . . . 0.0 112.782 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -138.65 149.19 44.92 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.988 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 49.0 t -113.81 121.46 44.08 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.085 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 p90 -126.7 160.35 59.11 Favored Pre-proline 0 CA--C 1.548 0.904 0 CA-C-O 119.189 -0.434 . . . . 0.0 111.524 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -82.64 133.92 7.27 Favored 'Trans proline' 0 C--N 1.381 2.258 0 C-N-CA 122.222 1.948 . . . . 0.0 113.027 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -161.27 -52.57 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.723 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -91.78 -7.08 50.6 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.252 179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -98.13 -42.08 7.62 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.216 0.323 . . . . 0.0 111.052 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.392 -0.813 . . . . 0.0 110.904 179.871 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.455 0.169 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 160.69 78.29 0.03 OUTLIER Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.439 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 m -132.65 134.51 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 122.298 0.239 . . . . 0.0 111.262 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -128.33 -40.83 1.6 Allowed 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.706 0.629 . . . . 0.0 111.28 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 8.2 t 63.5 115.59 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 123.734 0.814 . . . . 0.0 110.992 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -171.71 -55.42 0.04 OUTLIER Glycine 0 C--N 1.338 0.648 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.7 p -136.91 140.5 42.34 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 123.612 0.242 . . . . 0.0 111.112 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 73.0 m -91.89 149.97 39.87 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.222 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . 0.443 ' HG2' ' CD1' ' X' ' 12' ' ' TYR . 36.3 Cg_endo -65.55 165.59 22.37 Favored 'Trans proline' 0 C--N 1.373 1.83 0 C-N-CA 122.637 2.225 . . . . 0.0 113.063 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 42.5 p -77.71 132.97 38.4 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.69 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' X' ' 24' ' ' ASP . . . 96.31 40.97 3.82 Favored Glycine 0 C--N 1.337 0.623 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.451 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . 0.443 ' CD1' ' HG2' ' X' ' 9' ' ' PRO . 6.8 m-85 -135.1 163.38 30.05 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 122.606 0.362 . . . . 0.0 111.446 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 57.3 t -99.92 105.88 18.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . 0.66 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 86.9 mtt180 -99.98 99.66 10.44 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.514 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 62.8 mtp180 -150.16 133.1 16.09 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.776 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 22.59 62.18 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 116.002 -0.544 . . . . 0.0 113.174 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 69.99 19.6 6.84 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.893 0.877 . . . . 0.0 112.002 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -138.76 133.69 32.51 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.133 179.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . 0.66 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 84.0 m -103.21 123.96 47.71 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.323 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . 0.408 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 37.6 p90 -129.6 159.85 67.49 Favored Pre-proline 0 CA--C 1.548 0.869 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . 0.494 ' HA ' ' OD2' ' X' ' 24' ' ' ASP . 6.3 Cg_exo -79.58 135.05 11.41 Favored 'Trans proline' 0 C--N 1.382 2.296 0 C-N-CA 122.272 1.982 . . . . 0.0 112.925 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -164.7 -50.29 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.272 -0.877 . . . . 0.0 110.174 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -92.44 -5.61 51.62 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.263 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . 0.494 ' OD2' ' HA ' ' X' ' 21' ' ' PRO . 4.3 p-10 -97.15 92.18 5.91 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.185 0.517 . . . . 0.0 111.241 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.786 179.451 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.581 0.229 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -156.69 93.88 0.14 Allowed Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.532 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.32 120.92 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 O-C-N 123.637 0.257 . . . . 0.0 111.295 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -100.32 138.92 36.73 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.828 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 8.1 t 63.28 114.09 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 123.745 0.818 . . . . 0.0 110.886 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -169.28 -71.13 0.04 OUTLIER Glycine 0 C--N 1.339 0.709 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.526 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 19.6 p -134.99 120.07 18.72 Favored 'General case' 0 C--O 1.236 0.361 0 O-C-N 123.659 0.27 . . . . 0.0 111.075 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 87.6 m -95.52 151.33 38.49 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -63.71 165.49 18.23 Favored 'Trans proline' 0 C--N 1.372 1.796 0 C-N-CA 122.693 2.262 . . . . 0.0 113.109 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 15.6 t -76.99 128.96 35.46 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.541 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.27 41.68 2.74 Favored Glycine 0 C--N 1.336 0.579 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.594 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -137.52 160.15 39.94 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 122.383 0.273 . . . . 0.0 111.204 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 57.9 t -99.86 111.69 30.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.624 -0.509 . . . . 0.0 109.624 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . 0.673 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 94.3 mtt180 -100.0 99.77 10.57 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.529 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -149.38 136.57 19.9 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.78 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.35 22.98 61.62 Favored Glycine 0 C--N 1.342 0.874 0 CA-C-N 115.873 -0.603 . . . . 0.0 113.054 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.24 19.52 6.56 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 124.084 0.954 . . . . 0.0 111.901 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -144.96 144.74 31.21 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.945 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . 0.673 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 80.3 m -102.35 125.43 49.06 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.207 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -127.62 158.73 69.11 Favored Pre-proline 0 CA--C 1.546 0.821 0 CA-C-O 119.111 -0.471 . . . . 0.0 111.353 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -79.32 135.66 12.14 Favored 'Trans proline' 0 C--N 1.38 2.199 0 C-N-CA 122.244 1.963 . . . . 0.0 112.733 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -164.83 -50.24 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.605 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -81.91 -26.29 34.23 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.642 0.589 . . . . 0.0 111.089 179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -140.43 107.15 5.36 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.624 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 10.9 t80 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.546 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.511 0.196 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -133.12 -160.3 9.43 Favored Glycine 0 C--N 1.337 0.614 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.667 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.86 153.76 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 123.585 0.226 . . . . 0.0 111.319 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -127.32 -6.26 5.93 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.455 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 m -117.57 118.88 59.94 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.449 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.6 48.93 0.33 Allowed Glycine 0 C--N 1.338 0.647 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.53 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 19.8 p -140.16 164.67 29.44 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.753 0.325 . . . . 0.0 111.015 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 13.6 p -85.91 149.54 50.88 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -63.06 165.83 15.85 Favored 'Trans proline' 0 C--N 1.375 1.922 0 C-N-CA 123.035 2.49 . . . . 0.0 113.354 -179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.5 m -62.99 144.13 57.14 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.969 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.66 14.77 39.44 Favored Glycine 0 CA--C 1.523 0.584 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.514 -179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . 0.494 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 1.8 m-85 -106.87 167.22 10.03 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 122.743 0.417 . . . . 0.0 111.115 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 m -108.25 112.1 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.063 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . 0.5 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 79.3 mtp180 -103.57 99.62 9.44 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.348 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 23.5 mmt180 -149.5 135.76 19.07 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.801 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.42 24.76 58.37 Favored Glycine 0 C--N 1.342 0.863 0 CA-C-N 115.918 -0.583 . . . . 0.0 113.001 -179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.15 19.51 6.67 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.078 0.951 . . . . 0.0 111.976 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 52.8 p90 -141.87 146.97 36.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.082 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . 0.494 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 47.8 t -113.12 118.2 34.08 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.268 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -127.7 163.55 42.3 Favored Pre-proline 0 CA--C 1.548 0.883 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.22 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -79.17 130.95 9.53 Favored 'Trans proline' 0 C--N 1.381 2.255 0 C-N-CA 122.407 2.071 . . . . 0.0 112.878 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -161.2 -52.65 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.788 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -94.1 -7.14 43.35 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.216 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.9 -43.3 7.89 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.146 0.279 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 88.3 m-85 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.548 -0.739 . . . . 0.0 110.832 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 . . . . . 0 N--CA 1.488 1.467 0 CA-C-O 120.316 0.103 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.94 152.17 24.23 Favored Glycine 0 C--N 1.34 0.802 0 O-C-N 123.499 0.5 . . . . 0.0 112.591 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -130.3 122.88 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 122.279 0.231 . . . . 0.0 111.301 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -128.45 -34.12 2.06 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.477 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 4.4 m -117.35 127.2 74.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 123.44 0.462 . . . . 0.0 111.267 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 127.96 54.7 0.12 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.533 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -98.77 -31.81 11.69 Favored 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.739 0.317 . . . . 0.0 111.753 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 24.7 p -90.16 148.89 40.36 Favored Pre-proline 0 CA--C 1.539 0.53 0 O-C-N 123.327 0.392 . . . . 0.0 111.383 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.96 165.72 25.23 Favored 'Trans proline' 0 C--N 1.374 1.877 0 C-N-CA 122.813 2.342 . . . . 0.0 113.131 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 13.9 t -62.38 141.03 58.53 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.795 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . 0.529 ' O ' ' HB2' ' X' ' 24' ' ' ASP . . . 109.19 6.47 29.61 Favored Glycine 0 C--N 1.336 0.571 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.555 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . 0.419 ' HD2' ' O ' ' X' ' 20' ' ' PHE . 7.5 m-85 -103.72 165.94 10.73 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 122.818 0.447 . . . . 0.0 111.17 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 59.9 t -99.84 102.9 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -100.37 99.58 10.24 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.438 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -149.88 132.18 15.53 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.628 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.39 32.75 33.68 Favored Glycine 0 C--N 1.343 0.959 0 O-C-N 123.601 0.563 . . . . 0.0 112.847 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 80.9 p 61.96 19.67 10.91 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.561 1.144 . . . . 0.0 112.935 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -136.78 146.35 45.62 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.939 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . 0.418 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 45.4 t -115.0 123.12 48.27 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.189 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . 0.419 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 39.7 p90 -129.58 160.29 65.29 Favored Pre-proline 0 CA--C 1.548 0.892 0 CA-C-O 119.194 -0.432 . . . . 0.0 111.381 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -82.32 134.89 8.06 Favored 'Trans proline' 0 C--N 1.381 2.275 0 C-N-CA 122.392 2.062 . . . . 0.0 113.094 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -162.91 -52.22 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.626 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 7.6 t70 -94.86 -13.37 25.55 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.989 179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . 0.529 ' HB2' ' O ' ' X' ' 11' ' ' GLY . 4.1 t70 -128.63 103.65 7.21 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 123.265 0.353 . . . . 0.0 110.294 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 . . . . . 0 N--CA 1.484 1.274 0 C-N-CA 123.96 0.904 . . . . 0.0 112.033 179.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.473 0.178 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.71 79.59 0.03 OUTLIER Glycine 0 C--N 1.336 0.564 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.33 121.79 17.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.449 0 O-C-N 123.623 0.249 . . . . 0.0 111.166 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -100.98 145.55 28.54 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.819 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.11 119.54 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.271 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.15 149.98 21.13 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.62 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -138.39 135.47 35.33 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 123.607 0.239 . . . . 0.0 111.108 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 p -99.49 151.34 37.4 Favored Pre-proline 0 CA--C 1.537 0.453 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.992 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -61.0 165.98 11.31 Favored 'Trans proline' 0 C--N 1.374 1.88 0 C-N-CA 123.067 2.512 . . . . 0.0 113.311 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 52.8 m -58.83 132.52 54.19 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.119 0.567 . . . . 0.0 112.064 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.6 34.9 4.82 Favored Glycine 0 C--N 1.337 0.585 0 CA-C-N 115.603 -0.726 . . . . 0.0 112.292 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . 0.62 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 1.3 m-85 -130.2 166.45 20.24 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 122.64 0.376 . . . . 0.0 110.961 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 6.7 m -112.52 115.65 50.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.183 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . 0.534 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 98.6 mtt180 -100.17 99.24 9.91 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.342 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 25.1 mmt180 -152.47 135.49 15.64 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.592 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 50.0 5.57 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 116.004 -0.543 . . . . 0.0 112.987 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 13.4 t 49.85 19.39 0.43 Allowed 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 124.924 1.289 . . . . 0.0 114.448 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -160.8 148.74 15.96 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 122.72 0.408 . . . . 0.0 110.923 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . 0.62 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 34.3 t -100.17 129.07 46.15 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.499 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -128.8 163.45 45.2 Favored Pre-proline 0 CA--C 1.55 0.957 0 CA-C-O 119.134 -0.46 . . . . 0.0 111.373 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -80.52 132.17 8.81 Favored 'Trans proline' 0 C--N 1.379 2.171 0 C-N-CA 122.471 2.114 . . . . 0.0 112.813 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -161.26 -52.35 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.753 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -91.29 0.68 57.48 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 123.591 0.557 . . . . 0.0 111.19 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.72 -43.06 9.79 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.573 -0.285 . . . . 0.0 111.022 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 . . . . . 0 C--O 1.251 1.181 0 CA-C-O 118.531 -0.747 . . . . 0.0 110.886 179.741 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.501 0.191 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.87 53.07 0.02 OUTLIER Glycine 0 C--N 1.337 0.584 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.555 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.89 119.79 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 122.254 0.222 . . . . 0.0 111.244 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -107.82 -39.9 5.43 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.365 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 8.4 p -103.68 135.79 39.66 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.645 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -114.25 -130.89 5.11 Favored Glycine 0 C--N 1.338 0.651 0 CA-C-N 115.793 -0.639 . . . . 0.0 112.454 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 20.1 p -109.71 -49.83 3.05 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.604 0.238 . . . . 0.0 111.224 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 78.9 m -97.62 149.26 35.52 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.017 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . 0.542 ' HG2' ' CD1' ' X' ' 12' ' ' TYR . 37.5 Cg_endo -66.83 165.5 25.65 Favored 'Trans proline' 0 C--N 1.373 1.821 0 C-N-CA 122.648 2.232 . . . . 0.0 113.048 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 43.8 p -77.43 130.7 37.39 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.775 -179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.9 44.56 3.07 Favored Glycine 0 C--N 1.338 0.688 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.293 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . 0.542 ' CD1' ' HG2' ' X' ' 9' ' ' PRO . 5.5 m-85 -135.01 162.92 31.09 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 122.529 0.332 . . . . 0.0 111.432 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 58.0 t -99.83 107.6 21.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . 0.654 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 97.2 mtt180 -99.99 99.78 10.58 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.547 -179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -149.03 130.45 14.75 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.584 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.42 32.28 34.98 Favored Glycine 0 C--N 1.342 0.914 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.784 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 74.0 p 61.65 19.72 10.7 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 124.579 1.152 . . . . 0.0 112.945 -179.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -137.05 147.21 46.02 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.009 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . 0.654 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 71.3 m -112.89 122.79 48.7 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.392 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -127.96 158.78 69.62 Favored Pre-proline 0 CA--C 1.547 0.84 0 CA-C-O 119.139 -0.457 . . . . 0.0 111.171 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . 0.482 ' HA ' ' OD2' ' X' ' 24' ' ' ASP . 4.9 Cg_exo -80.59 133.63 9.49 Favored 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 122.276 1.984 . . . . 0.0 113.024 179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -162.33 -51.87 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.805 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -88.55 -7.91 55.67 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.399 179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . 0.482 ' OD2' ' HA ' ' X' ' 21' ' ' PRO . 3.8 p-10 -96.91 -44.78 6.88 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 123.109 0.256 . . . . 0.0 111.394 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 11.7 t80 . . . . . 0 C--O 1.251 1.163 0 CA-C-O 118.417 -0.802 . . . . 0.0 110.536 -179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.498 0.19 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 159.29 -144.79 10.59 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.496 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.8 m -137.67 116.82 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 O-C-N 123.683 0.284 . . . . 0.0 111.286 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -131.35 146.65 52.37 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 m -130.43 119.89 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.202 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 170.69 -54.21 0.19 Allowed Glycine 0 C--N 1.337 0.608 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.661 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.8 p -136.87 150.63 48.38 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.606 0.241 . . . . 0.0 111.362 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 67.2 m -94.4 153.17 40.49 Favored Pre-proline 0 CA--C 1.537 0.46 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.191 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -63.96 165.62 18.51 Favored 'Trans proline' 0 C--N 1.374 1.872 0 C-N-CA 122.744 2.296 . . . . 0.0 113.069 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 14.4 t -77.45 132.61 38.54 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.444 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' X' ' 23' ' ' ASP . . . 108.72 4.08 32.09 Favored Glycine 0 C--N 1.337 0.588 0 CA-C-N 115.672 -0.694 . . . . 0.0 112.927 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -110.57 158.39 18.61 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 122.401 0.28 . . . . 0.0 111.253 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 47.7 t -99.99 115.88 42.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.555 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . 0.671 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 70.9 mtt180 -99.92 99.42 10.19 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.433 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' X' ' 14' ' ' ARG . 97.2 mtt180 -151.87 136.57 17.05 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.796 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.34 41.18 11.97 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.075 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 64.3 p 56.66 19.34 4.23 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 124.597 1.159 . . . . 0.0 113.538 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -157.88 150.37 22.52 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.712 0.405 . . . . 0.0 110.875 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . 0.671 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 57.9 m -100.0 131.96 45.64 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.509 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 p90 -125.71 160.34 56.63 Favored Pre-proline 0 CA--C 1.549 0.908 0 CA-C-O 119.097 -0.478 . . . . 0.0 111.241 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -80.11 134.47 10.47 Favored 'Trans proline' 0 C--N 1.38 2.212 0 C-N-CA 122.283 1.989 . . . . 0.0 112.975 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -163.8 -51.4 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.751 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . 0.515 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 7.2 t70 -91.06 -14.77 30.68 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.077 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . 0.515 ' HB2' ' O ' ' X' ' 11' ' ' GLY . 4.2 t70 -125.73 102.12 7.18 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 123.322 0.389 . . . . 0.0 110.22 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.597 -0.716 . . . . 0.0 110.587 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 10.5 t80 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.383 0.135 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.92 -55.69 0.59 Allowed Glycine 0 C--N 1.341 0.807 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.515 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -134.03 130.78 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 122.305 0.242 . . . . 0.0 111.277 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -99.96 -39.28 8.23 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.104 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.9 m -128.56 -38.92 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.736 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 139.49 154.01 6.24 Favored Glycine 0 C--N 1.336 0.561 0 O-C-N 123.592 0.558 . . . . 0.0 112.544 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -136.68 133.09 35.8 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 122.335 0.254 . . . . 0.0 111.16 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . 0.448 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 24.4 p -127.22 150.07 71.34 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -62.61 165.77 15.03 Favored 'Trans proline' 0 C--N 1.374 1.908 0 C-N-CA 122.916 2.411 . . . . 0.0 113.423 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 51.8 m -73.25 150.39 42.05 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.822 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.03 24.03 16.02 Favored Glycine 0 C--N 1.337 0.621 0 CA-C-N 115.736 -0.665 . . . . 0.0 112.475 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . 0.401 ' HD2' ' O ' ' X' ' 20' ' ' PHE . 1.8 m-85 -131.32 168.7 17.1 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 122.824 0.45 . . . . 0.0 110.916 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 5.3 m -102.83 110.46 29.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 123.141 0.275 . . . . 0.0 110.482 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . 0.644 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 72.0 mtp180 -99.83 99.67 10.49 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.705 -179.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -149.67 134.69 17.97 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.45 34.81 27.81 Favored Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.891 -179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 67.3 p 60.76 19.48 9.6 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.753 1.221 . . . . 0.0 113.405 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -148.92 145.15 27.28 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.426 0.29 . . . . 0.0 111.148 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . 0.644 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 35.0 m -101.4 124.36 46.94 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.219 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . 0.401 ' O ' ' HD2' ' X' ' 12' ' ' TYR . 36.3 p90 -128.68 163.51 44.59 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-O 119.179 -0.438 . . . . 0.0 111.252 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -80.88 133.08 8.93 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 122.412 2.075 . . . . 0.0 112.879 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -163.4 -51.72 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.527 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -89.12 3.57 51.39 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.061 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -88.06 -41.13 13.28 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.512 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 12.5 t80 . . . . . 0 C--O 1.251 1.167 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.526 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 10.2 t80 . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.286 0.089 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.51 143.73 15.96 Favored Glycine 0 C--N 1.34 0.753 0 O-C-N 123.531 0.52 . . . . 0.0 112.423 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 6.3 t 63.25 115.14 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 123.675 0.79 . . . . 0.0 110.962 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -128.51 144.13 51.09 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.37 120.67 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 O-C-N 123.651 0.594 . . . . 0.0 111.324 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 171.09 -120.55 0.85 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.473 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -125.21 126.98 46.06 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.726 0.31 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 17.3 p -102.06 150.14 37.19 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -63.29 165.92 16.17 Favored 'Trans proline' 0 C--N 1.372 1.811 0 C-N-CA 122.904 2.403 . . . . 0.0 113.27 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 46.0 p -61.09 139.84 58.0 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.053 0.541 . . . . 0.0 112.068 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.39 38.05 3.86 Favored Glycine 0 C--N 1.337 0.616 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.261 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . 0.482 ' HB3' ' SG ' ' X' ' 19' ' ' CYS . 5.4 m-85 -133.57 162.16 32.66 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 122.688 0.395 . . . . 0.0 111.141 -179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 62.1 t -99.85 105.64 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . 0.497 ' O ' ' HG2' ' X' ' 15' ' ' ARG . 79.4 mtp180 -102.73 99.61 9.59 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.4 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 22.7 mmt180 -149.47 131.12 14.95 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.511 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.37 31.86 36.42 Favored Glycine 0 C--N 1.343 0.949 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.893 -179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 78.8 p 61.85 19.78 10.91 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.574 1.149 . . . . 0.0 112.966 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -137.02 135.12 37.3 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.005 178.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' X' ' 12' ' ' TYR . 49.8 t -106.83 122.7 46.9 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.316 179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . 0.407 ' O ' ' HD1' ' X' ' 12' ' ' TYR . 35.1 p90 -130.63 161.18 62.51 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-O 119.124 -0.465 . . . . 0.0 111.509 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . 0.449 ' HA ' ' OD2' ' X' ' 24' ' ' ASP . 4.6 Cg_exo -80.91 134.12 9.36 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 122.408 2.072 . . . . 0.0 112.887 179.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -162.94 -51.65 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.852 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -87.18 -6.89 58.45 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.418 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . 0.449 ' OD2' ' HA ' ' X' ' 21' ' ' PRO . 3.2 p-10 -95.76 -47.67 6.08 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.125 0.266 . . . . 0.0 111.228 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.444 ' HD2' ' OD1' ' X' ' 24' ' ' ASP . 79.7 m-85 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.838 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.561 0.22 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.39 -141.45 6.57 Favored Glycine 0 C--N 1.337 0.591 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.53 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.19 121.04 48.22 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 122.247 0.219 . . . . 0.0 111.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -128.98 149.54 50.77 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.838 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.85 127.24 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.295 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 110.06 73.32 0.74 Allowed Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.595 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 19.3 p -103.21 -43.16 5.53 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.709 0.3 . . . . 0.0 111.482 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 82.0 m -89.82 150.58 44.14 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.26 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.77 165.65 20.36 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.781 2.321 . . . . 0.0 113.22 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 14.1 t -75.73 139.26 41.79 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.467 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.59 34.37 5.81 Favored Glycine 0 C--N 1.336 0.572 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.442 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -133.11 167.2 20.76 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.714 0.406 . . . . 0.0 111.091 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 48.1 t -99.52 105.87 18.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -99.92 99.71 10.51 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.589 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -149.74 131.42 14.96 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.786 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.41 26.63 54.19 Favored Glycine 0 C--N 1.343 0.938 0 CA-C-N 116.056 -0.52 . . . . 0.0 113.186 -179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 70.11 19.58 6.7 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.026 0.93 . . . . 0.0 111.866 -179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 48.7 p90 -142.31 151.54 42.08 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.925 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 26.8 p -121.73 121.62 37.69 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.43 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -121.71 161.25 42.9 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.121 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_exo -78.6 134.58 12.41 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 122.331 2.021 . . . . 0.0 112.886 179.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -166.67 -49.94 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.804 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -86.5 -16.35 37.26 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.153 179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -106.28 95.89 6.08 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.07 0.462 . . . . 0.0 110.797 179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.128 -0.939 . . . . 0.0 110.607 179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 9.6 t80 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.516 0.198 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.87 157.78 7.78 Favored Glycine 0 C--N 1.338 0.648 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.709 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 m -131.5 128.51 61.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 O-C-N 123.714 0.302 . . . . 0.0 111.288 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -105.31 153.44 21.62 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.971 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 4.5 m -118.08 132.65 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 115.877 -0.602 . . . . 0.0 111.256 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.61 90.71 0.09 OUTLIER Glycine 0 C--N 1.338 0.64 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.424 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 18.9 p -109.13 153.63 23.45 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.674 0.273 . . . . 0.0 111.28 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . 0.505 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 9.1 p -99.04 151.21 37.29 Favored Pre-proline 0 CA--C 1.537 0.467 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.01 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -62.45 165.72 14.8 Favored 'Trans proline' 0 C--N 1.374 1.91 0 C-N-CA 122.988 2.459 . . . . 0.0 113.34 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 43.1 p -69.47 142.95 53.65 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.805 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . . . . . . . . . . . 97.34 31.15 6.96 Favored Glycine 0 C--N 1.339 0.706 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.384 -179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -135.45 161.62 34.95 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 122.835 0.454 . . . . 0.0 111.068 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 37.8 t -99.97 114.27 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . 0.66 ' HG2' ' SG ' ' X' ' 19' ' ' CYS . 93.5 mtt180 -99.97 99.43 10.19 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.626 -179.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' X' ' 14' ' ' ARG . 12.8 mmm180 -150.82 135.17 17.0 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.615 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.51 40.17 13.42 Favored Glycine 0 C--N 1.341 0.838 0 O-C-N 123.611 0.569 . . . . 0.0 113.006 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 64.4 p 57.48 19.31 5.14 Favored 'General case' 0 N--CA 1.49 1.551 0 C-N-CA 124.594 1.158 . . . . 0.0 113.597 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -156.42 149.32 23.98 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.564 0.346 . . . . 0.0 110.727 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . 0.66 ' SG ' ' HG2' ' X' ' 14' ' ' ARG . 29.6 m -100.03 128.95 46.04 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.58 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -119.25 159.88 43.62 Favored Pre-proline 0 CA--C 1.548 0.872 0 CA-C-O 119.073 -0.489 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo -79.52 135.95 12.07 Favored 'Trans proline' 0 C--N 1.38 2.194 0 C-N-CA 122.197 1.932 . . . . 0.0 113.252 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -167.39 -50.31 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.819 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -106.95 15.02 25.83 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.954 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -78.02 98.22 5.64 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.141 0.496 . . . . 0.0 111.469 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.94 179.812 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' X' X ' 1' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.501 0.191 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.51 -85.9 1.71 Allowed Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.488 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 3' ' ' VAL . . . . . . . . . . . . . 3.7 m -139.48 120.33 14.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 O-C-N 123.642 0.26 . . . . 0.0 111.313 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -128.66 145.96 51.01 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.802 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 5' ' ' VAL . . . . . . . . . . . . . 3.7 m -132.12 120.18 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.335 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 6' ' ' GLY . . . . . . . . . . . . . . . -111.79 -158.18 14.45 Favored Glycine 0 C--N 1.337 0.603 0 CA-C-N 115.909 -0.587 . . . . 0.0 112.548 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -103.69 -38.64 7.0 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 8' ' ' CYS . . . . . . . . . . . . . 75.6 m -94.65 149.66 36.82 Favored Pre-proline 0 CA--C 1.537 0.477 0 O-C-N 123.451 0.47 . . . . 0.0 111.137 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 9' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' X' ' 12' ' ' TYR . 36.9 Cg_endo -65.83 165.63 22.91 Favored 'Trans proline' 0 C--N 1.373 1.846 0 C-N-CA 122.763 2.309 . . . . 0.0 113.121 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 10' ' ' SER . . . . . . . . . . . . . 53.7 m -78.16 140.85 38.98 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.645 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 11' ' ' GLY . . . . . 0.54 ' O ' ' HB2' ' X' ' 24' ' ' ASP . . . 94.83 16.28 42.53 Favored Glycine 0 C--N 1.338 0.684 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.885 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 12' ' ' TYR . . . . . 0.482 ' CD1' ' HG2' ' X' ' 9' ' ' PRO . 3.4 m-85 -109.54 163.65 13.25 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 122.604 0.362 . . . . 0.0 111.158 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 13' ' ' VAL . . . . . . . . . . . . . 48.8 t -99.88 112.39 32.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 14' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' X' ' 15' ' ' ARG . 62.2 mtp180 -99.88 99.38 10.15 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.498 -179.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 15' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' X' ' 14' ' ' ARG . 97.2 mtt180 -151.6 135.96 16.83 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.685 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.48 42.57 10.13 Favored Glycine 0 C--N 1.341 0.83 0 O-C-N 123.613 0.571 . . . . 0.0 113.094 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 17' ' ' THR . . . . . . . . . . . . . 62.1 p 56.22 19.28 3.77 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.467 1.107 . . . . 0.0 113.761 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 18' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -159.5 148.84 18.25 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 122.825 0.45 . . . . 0.0 110.912 178.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 26.7 p -100.03 134.65 42.63 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.696 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 20' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -125.97 161.12 53.32 Favored Pre-proline 0 CA--C 1.55 0.953 0 O-C-N 123.495 0.497 . . . . 0.0 111.114 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 21' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -80.02 135.16 10.95 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 122.326 2.018 . . . . 0.0 112.876 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 22' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -164.94 -51.3 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.165 -0.925 . . . . 0.0 109.773 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 23' ' ' ASP . . . . . 0.431 ' HB3' ' O ' ' X' ' 11' ' ' GLY . 7.8 t70 -95.86 -14.34 23.27 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.912 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 24' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' X' ' 11' ' ' GLY . 4.0 t70 -127.61 105.68 8.64 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 123.336 0.398 . . . . 0.0 110.41 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 . . . . . 0 C--O 1.252 1.213 0 CA-C-O 118.493 -0.765 . . . . 0.0 110.954 179.828 . . . . . . . . 0 0 . 1 stop_ save_