data_5fzv_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5fzv _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -84.78 120.04 34.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -74.79 161.93 29.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.608 -171.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 36.3 ttpt -49.3 128.79 17.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.931 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.96 -8.19 65.2 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.024 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.2 mt -101.81 151.09 37.88 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 117.056 0.428 . . . . 0.0 110.482 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.553 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 16.1 Cg_exo -67.05 136.89 42.55 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.946 2.43 . . . . 0.0 112.762 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 p -140.75 158.51 43.86 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.649 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -126.19 25.04 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.364 0.602 . . . . 0.0 109.814 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HG3' ' H ' ' A' ' 19' ' ' SER . 9.2 tp10 -170.98 141.82 1.76 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.908 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -63.94 -29.55 70.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.542 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.496 ' H ' ' HG3' ' A' ' 17' ' ' GLU . 6.3 t -72.8 -17.91 61.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.439 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -71.42 -47.28 56.97 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.244 0.545 . . . . 0.0 110.306 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 t -67.58 137.06 55.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.742 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.3 m -54.55 -36.5 64.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.644 -1.162 . . . . 0.0 113.272 -173.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -104.66 18.94 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.858 -0.737 . . . . 0.0 112.261 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.6 15.67 81.08 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.02 -0.61 . . . . 0.0 114.445 167.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 p -131.03 113.29 23.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.812 0.815 . . . . 0.0 111.645 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.1 t -117.75 111.69 19.44 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.169 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -128.41 138.58 52.4 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.64 26.77 16.37 Favored 'General case' 0 CA--C 1.521 -0.153 0 O-C-N 123.768 0.667 . . . . 0.0 110.307 -174.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 58.1 mt 61.27 31.63 19.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.428 -176.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -137.14 139.23 41.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.983 0.42 . . . . 0.0 110.377 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.6 t -68.51 116.25 8.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.518 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 19.9 mt-30 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.364 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 122.293 1.044 . . . . 0.0 113.009 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.63 141.52 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.465 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -89.34 166.67 13.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.397 -174.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HG3' ' OXT' ' A' ' 32' ' ' GLN . 25.0 ttpp -57.63 130.96 48.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.119 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.07 -2.85 76.14 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.32 175.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -101.45 155.87 35.85 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.951 0.375 . . . . 0.0 110.381 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.6 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 35.6 Cg_exo -62.47 130.37 29.82 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.152 2.568 . . . . 0.0 112.976 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 29' ' ' LEU . 23.2 p -146.25 137.2 24.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.471 176.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.2 mtt -105.34 5.2 31.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.114 0.483 . . . . 0.0 110.821 -174.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.473 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . 36.6 tt0 -158.05 142.36 16.0 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.577 ' O ' ' HA2' ' A' ' 24' ' ' GLY . 13.1 m-70 -61.26 -27.23 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.623 -175.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 m -68.73 -38.54 80.28 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -172.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.473 ' OD1' ' HB3' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -75.91 -16.06 60.09 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -172.787 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -88.03 146.51 25.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.131 0.491 . . . . 0.0 110.727 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.5 m -61.89 -30.33 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.191 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -91.54 -8.37 47.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.586 -175.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.577 ' HA2' ' O ' ' A' ' 18' ' ' HIS . . . 65.19 20.6 67.36 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 114.476 0.55 . . . . 0.0 114.476 173.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.506 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 2.9 p -139.07 113.63 7.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 117.799 0.8 . . . . 0.0 111.302 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.1 m -118.25 127.5 53.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.041 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -136.19 133.06 36.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.55 32.02 21.68 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.571 0.544 . . . . 0.0 110.947 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.6 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 52.4 mt 63.19 27.21 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.471 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.664 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 71.0 m-85 -132.51 140.19 48.23 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 171.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.4 t -77.75 126.12 30.38 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.314 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.428 ' OXT' ' HG3' ' A' ' 11' ' ' LYS . 20.3 mt-30 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.878 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 121.181 0.515 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.1 mt -89.71 130.66 38.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.371 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -78.89 163.13 25.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.257 0.551 . . . . 0.0 111.911 -173.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HG3' ' OXT' ' A' ' 32' ' ' GLN . 45.4 tttm -51.09 131.56 27.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.033 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.62 -6.18 67.54 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.976 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.1 mt -104.47 150.85 38.95 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.848 0.324 . . . . 0.0 110.646 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.523 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 33.9 Cg_exo -62.37 142.83 92.37 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.109 2.539 . . . . 0.0 113.383 -178.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.1 p -138.95 155.3 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.517 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.8 mtt -116.98 -13.83 10.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.27 0.557 . . . . 0.0 110.305 178.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -136.28 146.93 47.22 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -55.72 -39.38 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.543 0.211 . . . . 0.0 111.14 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -64.46 -15.47 60.76 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -67.45 -47.26 70.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.125 0.488 . . . . 0.0 109.969 176.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 t -69.78 140.35 53.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.36 -174.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.8 m -58.73 -32.2 68.99 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.686 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.403 HH21 ' C ' ' A' ' 32' ' ' GLN . 48.7 mtm180 -94.12 1.53 56.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.353 178.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.06 6.08 81.92 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.711 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.87 115.35 49.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.136 0.494 . . . . 0.0 110.82 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.5 t -115.21 112.97 23.29 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -127.41 131.69 50.24 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.49 25.96 15.58 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.851 0.719 . . . . 0.0 110.208 -174.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 46.7 mt 60.53 34.73 20.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.962 -174.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -133.78 138.65 45.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.104 172.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.8 t -68.39 125.17 25.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.469 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.449 ' OXT' ' HG3' ' A' ' 11' ' ' LYS . 14.3 mt-30 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.432 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 121.789 0.804 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.2 mt -99.56 142.63 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.416 173.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -88.93 168.09 12.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.045 0.45 . . . . 0.0 111.784 -176.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HD3' HH22 ' A' ' 23' ' ' ARG . 23.1 ttpp -51.09 141.08 14.79 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.243 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.47 -3.75 76.55 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.974 -0.631 . . . . 0.0 113.308 171.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.6 mt -101.12 152.48 37.91 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.569 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 31.0 Cg_exo -62.1 131.51 34.97 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.023 2.482 . . . . 0.0 113.171 -177.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 p -138.65 161.69 36.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.999 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.9 mtt -120.83 -21.38 6.63 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.997 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -130.44 149.72 51.98 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.433 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 8.7 m-70 -54.48 -41.94 70.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.66 0.266 . . . . 0.0 111.482 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.1 m -66.16 -14.02 61.15 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -59.03 -36.95 75.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.157 0.503 . . . . 0.0 110.284 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.7 t -100.81 145.63 28.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.737 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 58.8 m -58.24 -28.07 64.54 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.083 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.419 HH22 ' HD3' ' A' ' 11' ' ' LYS . 51.1 mtm-85 -80.84 -6.46 58.62 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.545 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' HB3' ' A' ' 18' ' ' HIS . . . 67.06 23.91 73.05 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.106 176.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.433 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 3.1 p -135.29 114.28 16.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.665 0.745 . . . . 0.0 111.164 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.0 t -118.42 117.38 28.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.453 177.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -126.62 132.73 51.19 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.66 28.25 17.96 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 123.581 0.55 . . . . 0.0 110.927 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.569 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 51.0 mt 62.41 31.42 17.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.166 -177.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -138.02 140.77 40.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.344 172.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.5 t -71.37 133.09 45.71 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.948 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 . . . . . 0 C--O 1.249 1.065 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.736 177.491 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.449 -0.486 0 CA-C-O 121.021 0.439 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.8 mt -85.7 144.0 10.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.252 -174.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.67 159.27 30.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.441 -175.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -64.09 129.32 39.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.328 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.51 -8.15 66.32 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.151 -0.547 . . . . 0.0 113.377 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.29 156.82 35.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.873 0.337 . . . . 0.0 110.854 -176.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 37.0 Cg_exo -61.18 133.21 45.48 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.203 2.602 . . . . 0.0 113.468 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -136.74 172.29 13.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.249 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 64.3 mtt -133.45 -31.5 1.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.416 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -123.04 151.89 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 177.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -59.92 -27.9 67.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.619 0.247 . . . . 0.0 111.385 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -71.31 -17.02 62.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.623 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -66.33 -47.48 73.35 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.269 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.5 m -79.62 138.35 37.39 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.476 -173.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.4 m -56.06 -35.52 67.04 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.699 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -88.36 10.62 19.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.581 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.83 4.76 49.05 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 114.714 0.645 . . . . 0.0 114.714 171.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HB ' ' HG2' ' A' ' 32' ' ' GLN . 61.3 t -124.02 120.01 58.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 117.774 0.787 . . . . 0.0 111.863 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.0 t -115.24 125.26 53.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -132.75 127.68 35.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.714 -0.106 . . . . 0.0 110.714 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.17 33.04 22.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.142 0.496 . . . . 0.0 111.0 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 49.0 mt 63.3 27.05 15.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.341 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -137.93 134.54 35.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.081 173.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.4 m -66.03 117.06 7.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.048 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 2.5 pt20 . . . . . 0 C--O 1.244 0.802 0 O-C-N 123.962 0.789 . . . . 0.0 112.482 -174.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 122.058 0.932 . . . . 0.0 111.644 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.6 mt -90.32 145.73 7.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.716 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -77.09 157.08 31.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.365 0.602 . . . . 0.0 111.003 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.401 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 39.3 ttpt -63.22 134.31 55.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.028 -178.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.29 -3.55 72.68 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.04 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.8 mt -104.3 156.56 35.62 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.878 0.339 . . . . 0.0 110.836 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.493 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 32.4 Cg_exo -59.56 135.84 67.19 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.165 2.577 . . . . 0.0 113.272 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.3 p -147.28 169.48 19.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.137 -0.938 . . . . 0.0 108.81 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.8 ttp -122.4 -26.11 4.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.379 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -125.83 152.43 45.49 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -58.01 -43.26 86.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.701 0.286 . . . . 0.0 111.225 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 p -68.36 -14.51 63.05 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -59.47 -35.41 74.03 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 110.7 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.4 t -102.54 146.35 28.27 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.38 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.6 m -62.16 -19.78 63.43 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.544 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 20.7 mmm180 -71.9 -18.02 62.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.183 176.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.89 7.0 69.06 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.381 -0.438 . . . . 0.0 112.826 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 p -136.15 114.89 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.545 0.688 . . . . 0.0 111.47 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.7 t -118.0 118.18 31.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.51 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -133.84 138.02 45.39 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.83 28.22 17.66 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.512 0.508 . . . . 0.0 110.821 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 55.8 mt 65.03 22.41 12.39 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.83 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -133.87 137.11 44.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.948 0.404 . . . . 0.0 110.106 174.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 36.4 t -70.92 128.41 35.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.332 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.045 -176.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 p . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.7 mt -77.46 128.24 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.106 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.11 157.55 37.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.54 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -53.88 130.15 36.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.021 177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.77 -6.2 69.97 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.944 -0.646 . . . . 0.0 113.073 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.9 mt -101.02 152.28 37.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.787 0.294 . . . . 0.0 110.675 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 25.4 Cg_exo -63.45 132.9 37.62 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.164 2.576 . . . . 0.0 113.142 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.3 p -141.63 168.56 19.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.19 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -122.84 -28.67 4.09 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.563 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.24 159.23 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.251 -0.28 . . . . 0.0 110.389 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.43 ' HD1' ' HA ' ' A' ' 25' ' ' VAL . 71.6 m-70 -52.45 -49.68 64.15 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.919 0.39 . . . . 0.0 111.065 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.9 p -60.73 -23.37 64.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.637 -175.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -62.75 -47.79 81.99 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.446 0.641 . . . . 0.0 110.151 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 6.2 t -79.7 136.18 36.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.219 -172.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.8 m -56.73 -26.31 56.73 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.112 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.573 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 19.1 mmm180 -78.43 -17.06 56.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.53 5.0 85.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.755 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.43 ' HA ' ' HD1' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -140.91 121.31 13.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.153 0.501 . . . . 0.0 110.494 -178.702 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.4 t -112.29 112.6 24.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.796 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -120.21 131.72 55.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.383 -175.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.63 29.79 19.26 Favored 'General case' 0 CA--C 1.52 -0.175 0 O-C-N 123.641 0.588 . . . . 0.0 110.606 -176.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 51.0 mt 61.34 28.22 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.444 -177.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -132.65 139.22 47.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.151 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.6 t -67.59 116.59 8.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.422 ' HG2' HG11 ' A' ' 25' ' ' VAL . 2.3 pt20 . . . . . 0 C--O 1.252 1.228 0 CA-C-O 117.99 -1.005 . . . . 0.0 112.03 -171.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 121.432 0.634 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -91.78 134.62 29.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -74.32 153.97 39.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.339 0.59 . . . . 0.0 111.799 -175.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -63.29 133.15 53.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.813 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.76 -7.79 63.31 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.245 -177.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.7 mt -102.46 157.74 33.12 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.572 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 25.4 Cg_exo -63.81 133.87 41.03 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.966 2.444 . . . . 0.0 113.109 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.6 p -149.13 139.64 22.51 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.194 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 81.5 mtp -98.71 -11.38 22.01 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.62 -173.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.44 149.08 40.53 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.484 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 28.9 m-70 -51.68 -45.43 63.46 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 122.677 0.391 . . . . 0.0 111.579 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.6 p -65.08 -15.38 62.3 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -174.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -65.22 -33.74 76.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.173 0.511 . . . . 0.0 110.653 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -105.89 143.86 33.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.211 -176.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.38 -22.42 64.96 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.34 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.676 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 16.2 mmm180 -71.75 -17.48 62.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.148 176.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.6 9.65 59.09 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 113.431 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.484 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 2.7 p -137.73 114.38 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 121.695 0.76 . . . . 0.0 111.252 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.3 m -118.1 123.11 44.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.394 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -131.0 138.9 49.89 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.61 28.35 18.04 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 123.74 0.65 . . . . 0.0 110.584 -176.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.572 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 52.1 mt 63.54 28.34 15.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.234 -177.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.664 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 67.6 m-85 -133.45 140.05 47.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.11 173.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.676 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 40.4 t -75.6 128.9 36.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.244 0.793 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.501 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.47 0.575 0 CA-C-O 121.353 0.597 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.426 ' HB ' ' SG ' ' A' ' 31' ' ' CYS . 11.3 mt -92.05 130.92 40.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.23 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -74.03 161.59 29.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.631 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -57.15 127.34 31.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.665 -178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.17 -2.02 63.19 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.442 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -101.68 151.3 37.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 117.241 0.52 . . . . 0.0 110.28 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.576 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 16.4 Cg_exo -67.43 143.43 63.4 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.018 2.479 . . . . 0.0 113.101 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 p -127.47 175.58 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.113 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.8 mtt -130.39 -4.98 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.841 0.353 . . . . 0.0 110.511 171.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -152.09 151.07 30.62 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -60.51 -36.14 77.65 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.763 0.316 . . . . 0.0 111.536 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 p -65.31 -14.93 61.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -59.95 -43.28 95.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.965 0.412 . . . . 0.0 110.842 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 m -83.35 146.25 28.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.641 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.4 m -55.65 -40.84 72.76 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.405 HH21 ' NE2' ' A' ' 32' ' ' GLN . 15.4 mtm180 -83.14 -0.22 48.24 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.614 -177.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.3 4.74 69.81 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.022 -0.608 . . . . 0.0 113.099 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 p -117.73 115.5 48.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.597 0.713 . . . . 0.0 111.144 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.5 t -117.26 140.67 49.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.763 174.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -129.84 124.28 32.91 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.666 -177.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.97 38.76 24.18 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.0 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.576 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 54.4 mt 57.85 30.19 18.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.63 -177.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.596 ' HE2' ' CE1' ' A' ' 30' ' ' PHE . 56.2 m-85 -134.55 130.24 36.26 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 171.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' HB ' ' A' ' 9' ' ' ILE . 90.9 m -61.9 121.54 13.2 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 178.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.414 HE21 ' HB2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.121 -0.942 . . . . 0.0 111.595 -176.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.0 p . . . . . 0 C--O 1.234 0.27 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 21' ' ' CYS . 22.3 mt -86.29 117.24 30.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.432 HE21 ' HB2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -83.17 165.67 19.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.229 0.538 . . . . 0.0 112.333 -169.494 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 39.3 ttmt -47.94 128.31 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.687 -1.142 . . . . 0.0 113.033 -176.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.8 -13.72 62.15 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.999 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -98.01 151.48 37.57 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.839 0.319 . . . . 0.0 110.67 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.565 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 23.5 Cg_exo -63.91 136.44 52.91 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.986 2.457 . . . . 0.0 112.975 -178.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -150.83 131.41 13.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.715 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 60.2 mtm -95.3 -10.55 29.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.978 0.418 . . . . 0.0 110.776 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' A' ' 19' ' ' SER . 8.8 tp10 -134.77 140.21 45.74 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -63.59 -27.55 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.21 -174.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.425 ' H ' ' HG3' ' A' ' 17' ' ' GLU . 16.0 m -63.44 -38.06 89.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.566 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.415 ' OD1' ' HB3' ' A' ' 17' ' ' GLU . 4.4 m-20 -60.87 -45.55 94.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.105 0.479 . . . . 0.0 110.963 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.706 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 5.9 t -62.47 129.79 42.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.731 -176.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 64.0 m -56.67 -30.86 63.85 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.916 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.706 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 18.9 mmm180 -80.4 -16.81 53.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.96 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.17 4.96 89.86 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.437 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 p -133.9 116.81 24.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.497 0.665 . . . . 0.0 111.221 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 84.9 m -113.76 112.76 23.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.035 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -123.53 132.36 53.88 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.5 30.58 19.87 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.675 0.609 . . . . 0.0 110.451 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.565 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 70.1 mt 64.16 28.45 14.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.639 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.633 ' HE2' ' CE1' ' A' ' 30' ' ' PHE . 70.1 m-85 -131.36 141.63 49.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.908 0.385 . . . . 0.0 110.818 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.6 t -69.38 116.16 9.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.53 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.451 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 25.2 mm-40 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.785 -172.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.237 0.412 0 CA-C-O 121.093 0.473 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.3 mt -86.89 119.77 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -77.38 163.82 26.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.583 0.706 . . . . 0.0 112.171 -170.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 23.4 ttpp -48.31 127.85 13.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.238 -1.347 . . . . 0.0 111.552 175.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.56 -2.15 57.27 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.202 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.6 mt -116.8 154.47 49.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 117.046 0.423 . . . . 0.0 111.041 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -66.7 137.03 44.34 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.104 2.536 . . . . 0.0 113.353 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 20' ' ' ASP . 10.9 p -146.29 132.71 19.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.43 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 77.1 mtp -92.35 -23.92 19.08 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.565 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -123.58 140.89 52.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -53.46 -30.44 40.81 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.709 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.8 m -62.68 -30.47 71.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.431 0.457 . . . . 0.0 111.831 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 49.3 m-20 -67.65 -39.47 84.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -176.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.5 t -66.45 133.16 49.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.842 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.8 m -55.51 -28.98 57.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.603 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.49 HH21 ' C ' ' A' ' 32' ' ' GLN . 41.5 mtm180 -95.79 0.08 51.86 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.631 -0.427 . . . . 0.0 111.271 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.51 10.78 85.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.257 -0.497 . . . . 0.0 113.262 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.428 HG11 ' HG2' ' A' ' 32' ' ' GLN . 1.3 p -132.18 116.67 30.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.627 0.727 . . . . 0.0 111.619 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.7 m -114.9 122.3 45.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.054 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -126.5 132.02 51.49 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.66 26.93 16.65 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.319 0.58 . . . . 0.0 110.184 -172.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.0 mt 64.2 31.35 13.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.396 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.661 ' HE1' ' CE2' ' A' ' 30' ' ' PHE . 73.4 m-85 -129.46 140.32 51.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.256 173.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.13 112.26 5.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.49 ' C ' HH21 ' A' ' 23' ' ' ARG . 2.3 pt20 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.31 -0.852 . . . . 0.0 111.188 -172.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 p . . . . . 0 C--O 1.233 0.197 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 mt -95.21 135.29 29.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 172.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.04 165.96 15.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.962 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -52.35 133.16 34.88 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.083 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.25 76.81 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.662 -0.699 . . . . 0.0 113.242 173.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.6 mt -99.93 152.29 37.77 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.749 0.275 . . . . 0.0 110.825 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.598 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 19.6 Cg_exo -65.65 138.1 52.69 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.07 2.513 . . . . 0.0 113.087 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 p -124.28 176.52 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.389 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -122.12 -9.15 8.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.803 0.335 . . . . 0.0 110.197 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -162.01 156.41 22.18 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.951 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -58.73 -38.32 78.1 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.927 0.394 . . . . 0.0 111.337 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -64.41 -13.13 49.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.915 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -72.24 -32.07 66.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.341 0.591 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 m -95.13 137.87 33.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.657 -173.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.3 m -58.02 -32.34 67.85 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.895 0.379 . . . . 0.0 111.747 178.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -77.9 -5.17 50.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.157 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.48 4.05 43.2 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 116.248 -0.433 . . . . 0.0 114.04 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -128.86 115.2 35.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.834 0.826 . . . . 0.0 111.193 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.8 t -118.68 130.09 55.64 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.341 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -127.67 128.14 44.94 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.95 35.98 18.9 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.663 0.602 . . . . 0.0 110.841 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.598 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 58.7 mt 59.12 30.03 19.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.475 -177.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -128.79 128.74 44.56 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 171.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.0 m -63.45 123.41 18.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.327 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.616 -0.707 . . . . 0.0 109.923 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 121.568 0.699 . . . . 0.0 112.176 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.7 mt -89.22 140.25 16.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.751 174.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -82.2 163.09 22.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.381 0.61 . . . . 0.0 111.962 -176.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -61.08 135.42 57.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.195 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.9 -2.35 87.77 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.963 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 mt -100.97 153.69 37.58 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 122.634 -0.333 . . . . 0.0 110.325 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.564 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 31.2 Cg_exo -59.95 135.41 62.86 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.121 2.548 . . . . 0.0 113.212 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.1 p -140.99 159.06 43.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.57 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -115.76 -26.95 7.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.789 0.328 . . . . 0.0 110.521 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . 9.0 tp10 -124.95 154.61 40.91 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -59.19 -44.32 92.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.846 0.355 . . . . 0.0 111.076 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -65.14 -14.71 61.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.447 -176.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.428 ' OD1' ' HB3' ' A' ' 17' ' ' GLU . 39.1 m-20 -59.14 -35.34 73.33 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.27 0.557 . . . . 0.0 110.639 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.1 t -105.27 144.54 31.91 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.199 -175.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.2 m -58.48 -21.35 51.37 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.533 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.403 ' HD3' ' SG ' ' A' ' 31' ' ' CYS . 74.3 mtp85 -84.44 -10.74 57.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.61 14.99 63.47 Favored Glycine 0 C--N 1.332 0.337 0 CA-C-N 116.048 -0.523 . . . . 0.0 114.115 174.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 p -134.35 115.66 20.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.605 0.717 . . . . 0.0 111.437 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.0 t -117.68 120.26 37.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.799 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -136.26 136.42 39.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.6 26.42 16.12 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.528 -174.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.564 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 56.7 mt 61.6 28.21 17.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.503 -177.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -133.33 139.78 47.05 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 172.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.403 ' SG ' ' HD3' ' A' ' 23' ' ' ARG . 42.9 t -67.54 119.75 12.84 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.13 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.856 178.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.4 p . . . . . 0 N--CA 1.444 -0.744 0 CA-C-O 120.983 0.42 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.4 mt -82.76 140.33 16.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.525 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.606 ' HA ' HE21 ' A' ' 10' ' ' GLN . 0.0 OUTLIER -87.42 166.7 14.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.118 0.485 . . . . 0.0 111.645 -173.395 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -54.38 132.96 45.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.795 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.67 -12.8 65.94 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.958 -0.639 . . . . 0.0 113.167 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -99.86 151.27 37.43 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 117.009 0.405 . . . . 0.0 110.389 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 27.4 Cg_exo -62.83 137.13 61.27 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.236 2.624 . . . . 0.0 113.659 -176.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.4 p -140.08 161.49 37.49 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.242 175.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.2 mtt -125.2 -23.26 4.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.781 0.324 . . . . 0.0 111.088 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -123.82 147.26 47.74 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.405 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 15.8 m-70 -59.97 -29.18 68.26 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.669 0.271 . . . . 0.0 110.944 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -65.18 -27.56 68.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.416 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -65.2 -47.61 76.29 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.723 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 14.6 t -72.39 126.75 30.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.693 -177.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -17.22 64.37 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.948 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.723 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 19.7 mmm180 -81.59 -14.88 56.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.784 177.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.53 3.93 90.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.277 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.405 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 1.8 p -132.68 115.03 23.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.729 0.776 . . . . 0.0 110.771 -178.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -116.62 112.91 21.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.319 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -130.03 140.55 50.85 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.66 27.55 14.44 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.719 0.637 . . . . 0.0 110.536 -174.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 49.7 mt 62.62 28.31 16.57 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.137 -178.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -132.84 142.45 48.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.163 0.506 . . . . 0.0 110.945 175.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.5 t -72.91 119.77 17.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.053 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.551 -0.738 . . . . 0.0 111.241 -177.217 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.5 mt -89.59 131.36 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.345 174.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -69.33 152.27 45.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.541 0.686 . . . . 0.0 111.464 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' HZ2' ' HB3' ' A' ' 11' ' ' LYS . 4.1 ttpm? -58.47 136.57 57.54 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.658 -1.156 . . . . 0.0 110.944 178.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.58 -5.02 73.51 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.839 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.9 mt -103.38 158.51 31.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.697 0.249 . . . . 0.0 110.515 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.488 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 39.6 Cg_exo -61.98 135.24 54.14 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.864 2.376 . . . . 0.0 112.922 178.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 p -139.75 165.64 26.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.264 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.3 mtt -117.38 -35.06 4.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.773 0.32 . . . . 0.0 110.555 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 18' ' ' HIS . 0.4 OUTLIER -121.72 159.07 27.36 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.173 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.401 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 42.0 m-70 -60.88 -43.87 97.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 p -64.36 -15.56 60.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -62.15 -45.97 91.07 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.289 0.566 . . . . 0.0 111.142 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.3 t -88.07 151.49 22.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.527 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.8 m -60.23 -27.51 67.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.568 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.691 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 17.6 mmm180 -76.43 -18.28 58.9 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.047 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.9 4.97 68.48 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 121.038 -0.601 . . . . 0.0 113.321 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -131.62 115.98 29.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.474 0.654 . . . . 0.0 111.268 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.5 t -116.99 129.5 56.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.824 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -139.57 130.55 26.31 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.126 0.266 . . . . 0.0 110.46 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.57 33.88 23.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.052 0.453 . . . . 0.0 110.809 -177.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.488 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 48.4 mt 64.22 21.73 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.57 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.648 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 52.1 m-85 -131.68 139.98 49.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.068 0.461 . . . . 0.0 110.195 174.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.691 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 42.6 t -79.13 131.28 36.17 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.193 -177.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.698 -0.667 . . . . 0.0 111.537 -177.473 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.234 0.271 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.5 mt -77.2 128.2 38.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.816 0.341 . . . . 0.0 110.084 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -77.37 164.53 25.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.836 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -56.32 135.71 53.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.716 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.39 -1.97 86.27 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.916 174.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.4 mt -101.89 148.64 35.61 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.501 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 32.4 Cg_exo -61.01 126.13 18.8 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.144 2.562 . . . . 0.0 113.233 -176.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.6 p -129.33 162.64 27.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.282 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.6 mtt -128.93 -6.41 5.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.998 0.428 . . . . 0.0 110.803 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -141.01 155.4 46.2 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.441 ' O ' ' HA2' ' A' ' 24' ' ' GLY . 20.5 m-70 -70.87 -37.62 73.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.283 -177.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.7 p -67.94 -36.06 79.48 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -174.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -68.4 -30.22 69.09 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.9 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.9 t -72.18 133.61 45.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.214 0.531 . . . . 0.0 109.97 173.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.1 m -55.15 -31.56 61.41 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.098 -0.955 . . . . 0.0 113.222 -175.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -96.43 3.6 52.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.993 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 18' ' ' HIS . . . 73.11 16.8 78.5 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.913 176.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.41 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 2.2 p -135.94 115.65 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.707 0.765 . . . . 0.0 111.221 -179.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.6 t -115.73 112.66 22.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.64 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -126.86 135.84 51.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.581 -178.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.0 26.25 13.26 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.764 0.665 . . . . 0.0 110.62 -175.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 49.2 mt 62.97 29.21 16.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.768 -176.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -131.78 134.15 45.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.824 0.345 . . . . 0.0 110.292 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.5 t -64.56 118.34 8.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.714 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 . . . . . 0 C--O 1.244 0.777 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.591 -176.911 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.8 mt -79.54 128.08 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.555 ' HA ' HE21 ' A' ' 10' ' ' GLN . 0.1 OUTLIER -88.58 166.44 14.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.914 -169.611 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 22.8 ttmm -49.71 131.1 21.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.122 -0.945 . . . . 0.0 112.464 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.25 -2.35 85.11 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.085 175.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.6 mt -103.94 149.25 37.0 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 116.794 0.297 . . . . 0.0 110.61 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.474 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 21.7 Cg_exo -64.84 134.48 40.54 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.051 2.501 . . . . 0.0 113.291 -176.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 p -137.98 161.26 37.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.51 176.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -113.7 -25.67 8.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 110.764 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -127.73 153.39 46.58 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -63.83 -31.96 73.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.483 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 m -69.72 -28.69 66.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.633 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -59.88 -43.18 94.91 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.582 0.706 . . . . 0.0 109.52 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.656 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 6.5 t -70.41 127.37 32.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.305 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.25 -19.2 62.96 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.164 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.656 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 17.6 mmm180 -85.17 -12.21 53.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.943 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.13 4.88 90.43 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.312 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 p -134.23 115.43 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.625 0.726 . . . . 0.0 111.099 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.5 t -115.8 111.71 20.9 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -125.48 135.98 52.89 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.0 28.15 15.83 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.602 0.564 . . . . 0.0 110.397 -172.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 42.6 mt 61.88 29.33 17.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.66 -177.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -129.72 139.96 51.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.072 0.463 . . . . 0.0 110.521 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.5 t -71.38 123.36 22.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.85 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 19.9 mt-30 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.674 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.576 ' HB ' ' SG ' ' A' ' 31' ' ' CYS . 29.7 mt -78.47 131.87 33.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.209 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -76.0 160.8 29.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.183 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -56.2 132.2 49.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.319 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.37 -1.65 60.56 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.476 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.0 mt -101.62 149.86 36.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 117.248 0.524 . . . . 0.0 110.664 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 25.3 Cg_exo -62.98 124.93 14.86 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.037 2.491 . . . . 0.0 112.93 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -130.46 164.7 24.21 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.498 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 83.5 mtp -134.87 2.61 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.804 0.335 . . . . 0.0 110.65 173.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HB3' ' OD2' ' A' ' 20' ' ' ASP . 7.6 tp10 -146.92 144.78 29.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.486 ' HB3' ' O ' ' A' ' 24' ' ' GLY . 19.2 m-70 -71.41 -38.83 71.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.04 -171.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -66.49 -20.46 66.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.536 ' OD2' ' HB3' ' A' ' 17' ' ' GLU . 15.5 m-20 -70.2 -31.05 68.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.925 0.393 . . . . 0.0 110.772 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 m -85.56 143.09 28.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.903 -178.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -26.6 68.86 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -172.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -94.66 3.95 54.44 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.864 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 18' ' ' HIS . . . 70.59 19.32 76.34 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.681 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 p -130.26 116.9 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.716 0.77 . . . . 0.0 112.087 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.6 113.31 23.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.811 175.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -128.78 134.86 48.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.603 0.239 . . . . 0.0 110.753 -176.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.13 28.16 17.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.51 -175.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 53.4 mt 61.63 29.23 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.44 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.635 ' HE2' ' CE1' ' A' ' 30' ' ' PHE . 67.9 m-85 -136.13 132.85 36.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.823 173.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.576 ' SG ' ' HB ' ' A' ' 9' ' ' ILE . 98.7 m -63.16 124.92 22.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.691 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.368 -178.179 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.5 p . . . . . 0 N--CA 1.449 -0.502 0 CA-C-O 121.21 0.529 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.2 mt -78.82 144.92 10.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.767 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -83.66 161.32 21.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.296 0.57 . . . . 0.0 111.741 -176.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 24.8 ttpp -57.66 131.86 51.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.727 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.84 -13.18 59.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.86 -0.685 . . . . 0.0 113.288 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -99.45 155.33 36.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.87 0.335 . . . . 0.0 110.915 -176.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 36.1 Cg_exo -59.46 140.67 95.24 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.193 2.596 . . . . 0.0 113.446 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 p -147.53 161.19 41.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.151 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.0 mtm -119.78 -13.43 9.1 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.228 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -146.38 154.23 41.4 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.471 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 22.6 m-70 -55.02 -47.82 74.21 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.4 m -64.0 -13.95 50.4 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -59.15 -43.84 92.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.681 0.277 . . . . 0.0 110.655 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.5 t -90.45 152.44 20.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.288 0.566 . . . . 0.0 111.664 -172.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.5 m -63.25 -17.82 62.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.19 176.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -89.92 -14.01 35.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.792 0.329 . . . . 0.0 111.206 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.5 18.52 75.53 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.164 -0.541 . . . . 0.0 113.151 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.471 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 1.6 p -140.17 116.92 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.293 0.568 . . . . 0.0 111.214 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.9 t -116.33 126.04 52.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.811 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -134.74 129.72 35.11 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.07 31.33 19.79 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 44.2 mt 62.38 26.56 15.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.475 -177.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -136.65 142.33 43.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 172.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.5 t -72.67 126.32 29.6 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 3.5 pt20 . . . . . 0 C--O 1.246 0.873 0 O-C-N 123.888 0.742 . . . . 0.0 112.288 -173.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.2 p . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.4 mt -92.86 130.09 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.222 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.26 152.46 45.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.485 -174.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -56.88 129.73 42.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.526 -1.216 . . . . 0.0 110.526 176.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.24 -12.4 57.14 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.783 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.7 mt -102.32 152.46 38.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 122.586 -0.361 . . . . 0.0 110.934 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 23.6 Cg_exo -63.65 138.86 66.57 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.099 2.533 . . . . 0.0 113.01 -178.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 20' ' ' ASP . 14.0 p -153.53 134.34 13.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.294 176.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 79.9 mtp -100.96 7.34 43.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.838 0.351 . . . . 0.0 111.185 -174.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -152.35 136.1 16.23 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.493 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 7.1 m-70 -53.88 -33.83 57.63 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.643 -174.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -74.04 -15.52 61.07 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -176.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.404 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -68.97 -47.17 66.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.092 0.473 . . . . 0.0 110.049 175.794 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.3 t -65.54 133.67 51.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.911 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.3 m -55.43 -27.11 45.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.084 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -86.74 -7.75 57.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.311 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.81 7.03 88.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.562 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.493 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 0.4 OUTLIER -138.73 116.77 12.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.49 0.662 . . . . 0.0 111.376 -177.241 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.1 m -110.29 121.49 45.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.823 177.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -120.27 131.18 54.81 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.23 33.29 23.0 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.53 0.519 . . . . 0.0 110.789 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 66.5 mt 62.54 31.66 16.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.46 -177.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 1.656 ' HE1' ' CE2' ' A' ' 30' ' ' PHE . 64.8 m-85 -135.0 143.5 46.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.429 174.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.49 111.56 4.77 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.498 ' HG3' ' OXT' ' A' ' 32' ' ' GLN . 2.6 pt20 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.958 -1.02 . . . . 0.0 112.495 -169.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.806 -0.518 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.426 ' HA ' ' HB3' ' A' ' 8' ' ' CYS . 10.8 mp -76.44 130.56 38.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.497 0.189 . . . . 0.0 110.619 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 mt 58.91 64.69 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.74 0.781 . . . . 0.0 110.551 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -110.57 -26.62 9.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.425 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 t -160.0 82.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.5 mt 60.21 77.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 -171.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 61.07 -165.68 0.22 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.244 -169.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 2' ' ' LEU . 26.7 p -90.62 153.91 19.97 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 169.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -84.78 120.04 34.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -74.79 161.93 29.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.608 -171.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 36.3 ttpt -49.3 128.79 17.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.931 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.96 -8.19 65.2 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.024 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.2 mt -101.81 151.09 37.88 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 117.056 0.428 . . . . 0.0 110.482 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.553 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 16.1 Cg_exo -67.05 136.89 42.55 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.946 2.43 . . . . 0.0 112.762 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 p -140.75 158.51 43.86 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.649 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -126.19 25.04 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.364 0.602 . . . . 0.0 109.814 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.496 ' HG3' ' H ' ' A' ' 19' ' ' SER . 9.2 tp10 -170.98 141.82 1.76 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.908 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -63.94 -29.55 70.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.542 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.496 ' H ' ' HG3' ' A' ' 17' ' ' GLU . 6.3 t -72.8 -17.91 61.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.439 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -71.42 -47.28 56.97 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.244 0.545 . . . . 0.0 110.306 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 t -67.58 137.06 55.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.742 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.3 m -54.55 -36.5 64.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.644 -1.162 . . . . 0.0 113.272 -173.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -104.66 18.94 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.858 -0.737 . . . . 0.0 112.261 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.6 15.67 81.08 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.02 -0.61 . . . . 0.0 114.445 167.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 p -131.03 113.29 23.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.812 0.815 . . . . 0.0 111.645 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.1 t -117.75 111.69 19.44 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.169 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -128.41 138.58 52.4 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.64 26.77 16.37 Favored 'General case' 0 CA--C 1.521 -0.153 0 O-C-N 123.768 0.667 . . . . 0.0 110.307 -174.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.553 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 58.1 mt 61.27 31.63 19.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.428 -176.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -137.14 139.23 41.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.983 0.42 . . . . 0.0 110.377 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.6 t -68.51 116.25 8.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.518 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 19.9 mt-30 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.364 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.413 ' O ' ' HB3' ' A' ' 19' ' ' SER . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.471 -0.651 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt -83.44 -178.64 7.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.776 0.288 . . . . 0.0 110.862 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 55.9 mt 64.83 68.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.885 0.85 . . . . 0.0 110.431 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.444 ' H ' ' HA ' ' A' ' 20' ' ' ASP . 69.1 mm-40 -115.95 26.0 10.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.425 175.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t -154.74 161.91 41.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.838 -1.074 . . . . 0.0 108.342 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.402 HD13 ' H ' ' A' ' 6' ' ' ILE . 2.6 mp -55.16 103.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.321 0 O-C-N 123.668 0.605 . . . . 0.0 110.551 -178.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.406 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . 60.27 29.04 18.67 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.617 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 7' ' ' ALA . 30.3 p 53.58 149.12 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.175 1.39 . . . . 0.0 113.009 -177.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.63 141.52 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.465 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -89.34 166.67 13.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.397 -174.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HG3' ' OXT' ' A' ' 32' ' ' GLN . 25.0 ttpp -57.63 130.96 48.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.119 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.07 -2.85 76.14 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.32 175.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -101.45 155.87 35.85 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.951 0.375 . . . . 0.0 110.381 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.6 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 35.6 Cg_exo -62.47 130.37 29.82 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.152 2.568 . . . . 0.0 112.976 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 29' ' ' LEU . 23.2 p -146.25 137.2 24.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.471 176.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.2 mtt -105.34 5.2 31.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.114 0.483 . . . . 0.0 110.821 -174.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.473 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . 36.6 tt0 -158.05 142.36 16.0 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.577 ' O ' ' HA2' ' A' ' 24' ' ' GLY . 13.1 m-70 -61.26 -27.23 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.623 -175.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' ' 1' ' ' GLY . 4.2 m -68.73 -38.54 80.28 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -172.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.473 ' OD1' ' HB3' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -75.91 -16.06 60.09 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -172.787 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -88.03 146.51 25.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.131 0.491 . . . . 0.0 110.727 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.5 m -61.89 -30.33 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.191 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -91.54 -8.37 47.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.586 -175.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.577 ' HA2' ' O ' ' A' ' 18' ' ' HIS . . . 65.19 20.6 67.36 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 114.476 0.55 . . . . 0.0 114.476 173.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.506 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 2.9 p -139.07 113.63 7.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 117.799 0.8 . . . . 0.0 111.302 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.1 m -118.25 127.5 53.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.041 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -136.19 133.06 36.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.55 32.02 21.68 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.571 0.544 . . . . 0.0 110.947 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.6 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 52.4 mt 63.19 27.21 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.471 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.664 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 71.0 m-85 -132.51 140.19 48.23 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 171.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.4 t -77.75 126.12 30.38 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.314 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.428 ' OXT' ' HG3' ' A' ' 11' ' ' LYS . 20.3 mt-30 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.878 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.583 ' O ' ' HA ' ' A' ' 19' ' ' SER . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 pp -153.94 158.22 40.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.564 0.182 . . . . 0.0 110.825 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 79.4 mt 62.46 79.07 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 123.431 0.457 . . . . 0.0 110.855 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -141.31 -2.0 1.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -138.52 78.2 1.67 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.793 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.2 mt 58.51 75.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 62.95 -156.61 0.33 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.958 -169.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.1 p -103.79 156.85 17.5 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.316 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.1 mt -89.71 130.66 38.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.371 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -78.89 163.13 25.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.257 0.551 . . . . 0.0 111.911 -173.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HG3' ' OXT' ' A' ' 32' ' ' GLN . 45.4 tttm -51.09 131.56 27.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.033 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.62 -6.18 67.54 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.976 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.1 mt -104.47 150.85 38.95 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.848 0.324 . . . . 0.0 110.646 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.523 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 33.9 Cg_exo -62.37 142.83 92.37 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.109 2.539 . . . . 0.0 113.383 -178.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.1 p -138.95 155.3 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.517 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.8 mtt -116.98 -13.83 10.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.27 0.557 . . . . 0.0 110.305 178.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -136.28 146.93 47.22 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -55.72 -39.38 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.543 0.211 . . . . 0.0 111.14 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.583 ' HA ' ' O ' ' A' ' 1' ' ' GLY . 20.3 m -64.46 -15.47 60.76 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -67.45 -47.26 70.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.125 0.488 . . . . 0.0 109.969 176.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 t -69.78 140.35 53.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.36 -174.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.8 m -58.73 -32.2 68.99 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.686 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.403 HH21 ' C ' ' A' ' 32' ' ' GLN . 48.7 mtm180 -94.12 1.53 56.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.353 178.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.06 6.08 81.92 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.711 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.87 115.35 49.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.136 0.494 . . . . 0.0 110.82 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.5 t -115.21 112.97 23.29 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -127.41 131.69 50.24 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.49 25.96 15.58 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.851 0.719 . . . . 0.0 110.208 -174.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 46.7 mt 60.53 34.73 20.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.962 -174.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -133.78 138.65 45.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.104 172.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.8 t -68.39 125.17 25.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.469 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.449 ' OXT' ' HG3' ' A' ' 11' ' ' LYS . 14.3 mt-30 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.432 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.463 ' CD1' ' H ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -89.2 136.69 32.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.935 0.398 . . . . 0.0 110.182 179.189 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.427 ' HB ' ' H ' ' A' ' 4' ' ' GLU . 15.4 mm -119.11 -93.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.427 ' H ' ' HB ' ' A' ' 3' ' ' ILE . 38.3 mm-40 -97.51 0.46 47.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.619 0.723 . . . . 0.0 109.26 175.264 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -155.08 155.44 34.07 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.885 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.406 ' N ' HD13 ' A' ' 6' ' ' ILE . 3.2 mp -63.72 118.4 5.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 58.95 26.53 15.11 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.688 0.617 . . . . 0.0 110.967 -175.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p 50.4 -174.6 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.574 1.172 . . . . 0.0 112.648 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.2 mt -99.56 142.63 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.416 173.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -88.93 168.09 12.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.045 0.45 . . . . 0.0 111.784 -176.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HD3' HH22 ' A' ' 23' ' ' ARG . 23.1 ttpp -51.09 141.08 14.79 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.243 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.47 -3.75 76.55 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.974 -0.631 . . . . 0.0 113.308 171.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.6 mt -101.12 152.48 37.91 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.569 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 31.0 Cg_exo -62.1 131.51 34.97 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.023 2.482 . . . . 0.0 113.171 -177.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 p -138.65 161.69 36.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.999 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.9 mtt -120.83 -21.38 6.63 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.997 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -130.44 149.72 51.98 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.433 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 8.7 m-70 -54.48 -41.94 70.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.66 0.266 . . . . 0.0 111.482 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.1 m -66.16 -14.02 61.15 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -59.03 -36.95 75.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.157 0.503 . . . . 0.0 110.284 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.7 t -100.81 145.63 28.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.737 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 58.8 m -58.24 -28.07 64.54 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.083 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.419 HH22 ' HD3' ' A' ' 11' ' ' LYS . 51.1 mtm-85 -80.84 -6.46 58.62 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.545 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' HB3' ' A' ' 18' ' ' HIS . . . 67.06 23.91 73.05 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.106 176.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.433 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 3.1 p -135.29 114.28 16.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.665 0.745 . . . . 0.0 111.164 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.0 t -118.42 117.38 28.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.453 177.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -126.62 132.73 51.19 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.66 28.25 17.96 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 123.581 0.55 . . . . 0.0 110.927 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.569 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 51.0 mt 62.41 31.42 17.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.166 -177.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -138.02 140.77 40.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.344 172.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.5 t -71.37 133.09 45.71 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.948 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 . . . . . 0 C--O 1.249 1.065 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.736 177.491 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.401 ' C ' HD13 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.74 -0.544 . . . . 0.0 111.74 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.401 HD13 ' C ' ' A' ' 1' ' ' GLY . 6.4 mp -131.7 167.71 19.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.1 mm 60.92 86.76 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 O-C-N 123.788 0.68 . . . . 0.0 111.457 174.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.64 -60.94 1.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.205 0.526 . . . . 0.0 110.185 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -101.34 57.56 0.85 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.784 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.1 mt 66.11 99.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.823 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 64.71 178.21 0.18 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.078 -173.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.3 p -100.26 150.21 22.79 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.433 176.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.8 mt -85.7 144.0 10.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.252 -174.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.67 159.27 30.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.441 -175.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -64.09 129.32 39.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.328 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.51 -8.15 66.32 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.151 -0.547 . . . . 0.0 113.377 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.29 156.82 35.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.873 0.337 . . . . 0.0 110.854 -176.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 37.0 Cg_exo -61.18 133.21 45.48 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.203 2.602 . . . . 0.0 113.468 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -136.74 172.29 13.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.249 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 64.3 mtt -133.45 -31.5 1.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.416 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -123.04 151.89 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 177.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -59.92 -27.9 67.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.619 0.247 . . . . 0.0 111.385 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -71.31 -17.02 62.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.623 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -66.33 -47.48 73.35 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.269 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.5 m -79.62 138.35 37.39 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.476 -173.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.4 m -56.06 -35.52 67.04 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.699 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -88.36 10.62 19.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.581 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.83 4.76 49.05 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 114.714 0.645 . . . . 0.0 114.714 171.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HB ' ' HG2' ' A' ' 32' ' ' GLN . 61.3 t -124.02 120.01 58.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 117.774 0.787 . . . . 0.0 111.863 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.0 t -115.24 125.26 53.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -132.75 127.68 35.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.714 -0.106 . . . . 0.0 110.714 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.17 33.04 22.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.142 0.496 . . . . 0.0 111.0 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 49.0 mt 63.3 27.05 15.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.341 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -137.93 134.54 35.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.081 173.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.4 m -66.03 117.06 7.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.048 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.502 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 2.5 pt20 . . . . . 0 C--O 1.244 0.802 0 O-C-N 123.962 0.789 . . . . 0.0 112.482 -174.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 19' ' ' SER . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 19' ' ' SER . 1.9 pt? -159.21 173.95 15.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.737 0.269 . . . . 0.0 110.99 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 57.2 mt 67.54 63.11 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.908 0.861 . . . . 0.0 110.314 178.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -125.82 19.86 7.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.802 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 t -165.56 80.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.988 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.5 mt 51.08 81.26 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.716 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 54.42 31.67 15.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.591 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 65.05 158.13 0.1 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.644 -178.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.6 mt -90.32 145.73 7.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.716 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -77.09 157.08 31.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.365 0.602 . . . . 0.0 111.003 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 39.3 ttpt -63.22 134.31 55.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.028 -178.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.29 -3.55 72.68 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.04 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.8 mt -104.3 156.56 35.62 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.878 0.339 . . . . 0.0 110.836 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.493 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 32.4 Cg_exo -59.56 135.84 67.19 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.165 2.577 . . . . 0.0 113.272 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.3 p -147.28 169.48 19.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.137 -0.938 . . . . 0.0 108.81 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.8 ttp -122.4 -26.11 4.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.379 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -125.83 152.43 45.49 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -58.01 -43.26 86.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.701 0.286 . . . . 0.0 111.225 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.484 ' O ' ' HA ' ' A' ' 2' ' ' LEU . 14.8 p -68.36 -14.51 63.05 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -176.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -59.47 -35.41 74.03 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 110.7 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.4 t -102.54 146.35 28.27 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.38 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.6 m -62.16 -19.78 63.43 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.544 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 20.7 mmm180 -71.9 -18.02 62.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.183 176.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.89 7.0 69.06 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.381 -0.438 . . . . 0.0 112.826 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 p -136.15 114.89 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.545 0.688 . . . . 0.0 111.47 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.7 t -118.0 118.18 31.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.51 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -133.84 138.02 45.39 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.83 28.22 17.66 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.512 0.508 . . . . 0.0 110.821 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 55.8 mt 65.03 22.41 12.39 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.83 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -133.87 137.11 44.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.948 0.404 . . . . 0.0 110.106 174.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 36.4 t -70.92 128.41 35.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.332 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.045 -176.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.908 -0.477 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.416 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 85.2 mt -112.66 178.72 4.19 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 71.7 mt 74.9 112.22 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 O-C-N 123.676 0.61 . . . . 0.0 111.076 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.19 -29.14 15.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.474 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 t -168.89 91.29 0.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.824 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.9 mt 61.71 97.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.07 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 68.12 140.36 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.337 -175.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 p -76.14 159.86 30.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.073 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.7 mt -77.46 128.24 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.106 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.11 157.55 37.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.54 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -53.88 130.15 36.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.021 177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.77 -6.2 69.97 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.944 -0.646 . . . . 0.0 113.073 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.9 mt -101.02 152.28 37.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.787 0.294 . . . . 0.0 110.675 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.466 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 25.4 Cg_exo -63.45 132.9 37.62 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.164 2.576 . . . . 0.0 113.142 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.3 p -141.63 168.56 19.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.19 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -122.84 -28.67 4.09 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.563 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.24 159.23 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.251 -0.28 . . . . 0.0 110.389 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.43 ' HD1' ' HA ' ' A' ' 25' ' ' VAL . 71.6 m-70 -52.45 -49.68 64.15 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.919 0.39 . . . . 0.0 111.065 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.9 p -60.73 -23.37 64.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.637 -175.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -62.75 -47.79 81.99 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.446 0.641 . . . . 0.0 110.151 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 6.2 t -79.7 136.18 36.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.219 -172.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.8 m -56.73 -26.31 56.73 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.112 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.573 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 19.1 mmm180 -78.43 -17.06 56.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.53 5.0 85.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.755 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.43 ' HA ' ' HD1' ' A' ' 18' ' ' HIS . 0.2 OUTLIER -140.91 121.31 13.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.153 0.501 . . . . 0.0 110.494 -178.702 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.4 t -112.29 112.6 24.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.796 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -120.21 131.72 55.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.383 -175.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.63 29.79 19.26 Favored 'General case' 0 CA--C 1.52 -0.175 0 O-C-N 123.641 0.588 . . . . 0.0 110.606 -176.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 51.0 mt 61.34 28.22 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.444 -177.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -132.65 139.22 47.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.151 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.6 t -67.59 116.59 8.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.422 ' HG2' HG11 ' A' ' 25' ' ' VAL . 2.3 pt20 . . . . . 0 C--O 1.252 1.228 0 CA-C-O 117.99 -1.005 . . . . 0.0 112.03 -171.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.45 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 21.4 tp -160.56 168.11 25.7 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.45 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 34.1 mm 74.61 103.52 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 121.28 0.562 . . . . 0.0 111.558 176.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -128.48 21.17 6.1 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 t -172.97 162.86 4.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.543 -1.208 . . . . 0.0 107.99 -176.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.4 mt -63.2 115.73 2.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 60.46 40.81 16.73 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.551 -174.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p 53.19 -179.74 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.835 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -91.78 134.62 29.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -74.32 153.97 39.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.339 0.59 . . . . 0.0 111.799 -175.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -63.29 133.15 53.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.813 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.76 -7.79 63.31 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.245 -177.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.7 mt -102.46 157.74 33.12 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.572 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 25.4 Cg_exo -63.81 133.87 41.03 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.966 2.444 . . . . 0.0 113.109 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.6 p -149.13 139.64 22.51 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.194 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 81.5 mtp -98.71 -11.38 22.01 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.62 -173.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.44 149.08 40.53 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.484 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 28.9 m-70 -51.68 -45.43 63.46 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 122.677 0.391 . . . . 0.0 111.579 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.433 ' O ' HD13 ' A' ' 2' ' ' LEU . 77.6 p -65.08 -15.38 62.3 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -174.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -65.22 -33.74 76.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.173 0.511 . . . . 0.0 110.653 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -105.89 143.86 33.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.211 -176.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.38 -22.42 64.96 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.34 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.676 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 16.2 mmm180 -71.75 -17.48 62.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.148 176.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.6 9.65 59.09 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 113.431 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.484 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 2.7 p -137.73 114.38 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 121.695 0.76 . . . . 0.0 111.252 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.3 m -118.1 123.11 44.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.394 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -131.0 138.9 49.89 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.61 28.35 18.04 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 123.74 0.65 . . . . 0.0 110.584 -176.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.572 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 52.1 mt 63.54 28.34 15.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.234 -177.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.664 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 67.6 m-85 -133.45 140.05 47.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.11 173.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.676 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 40.4 t -75.6 128.9 36.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.244 0.793 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.501 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.17 -0.372 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.5 mt -112.0 175.96 5.22 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 64.7 mt 67.61 81.31 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.451 0.643 . . . . 0.0 110.192 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' HG3' ' HG ' ' A' ' 19' ' ' SER . 29.5 mm-40 -95.74 5.41 51.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.52 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -147.19 163.97 34.66 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.415 ' N ' HD13 ' A' ' 6' ' ' ILE . 2.3 mp -57.49 110.48 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 O-C-N 123.348 0.405 . . . . 0.0 110.44 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 61.53 25.33 15.27 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.46 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 64.35 178.23 0.18 Allowed 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.328 176.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.426 ' HB ' ' SG ' ' A' ' 31' ' ' CYS . 11.3 mt -92.05 130.92 40.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.23 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -74.03 161.59 29.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.631 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -57.15 127.34 31.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.665 -178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.17 -2.02 63.19 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.442 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -101.68 151.3 37.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 117.241 0.52 . . . . 0.0 110.28 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.576 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 16.4 Cg_exo -67.43 143.43 63.4 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.018 2.479 . . . . 0.0 113.101 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 p -127.47 175.58 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.113 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.8 mtt -130.39 -4.98 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.841 0.353 . . . . 0.0 110.511 171.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -152.09 151.07 30.62 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -60.51 -36.14 77.65 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.763 0.316 . . . . 0.0 111.536 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.406 ' HG ' ' HG3' ' A' ' 4' ' ' GLU . 3.6 p -65.31 -14.93 61.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -59.95 -43.28 95.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.965 0.412 . . . . 0.0 110.842 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 m -83.35 146.25 28.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.641 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.4 m -55.65 -40.84 72.76 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.405 HH21 ' NE2' ' A' ' 32' ' ' GLN . 15.4 mtm180 -83.14 -0.22 48.24 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.614 -177.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.3 4.74 69.81 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.022 -0.608 . . . . 0.0 113.099 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 p -117.73 115.5 48.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.597 0.713 . . . . 0.0 111.144 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.5 t -117.26 140.67 49.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.763 174.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -129.84 124.28 32.91 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.666 -177.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.97 38.76 24.18 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.0 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.576 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 54.4 mt 57.85 30.19 18.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.63 -177.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.596 ' HE2' ' CE1' ' A' ' 30' ' ' PHE . 56.2 m-85 -134.55 130.24 36.26 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 171.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' SG ' ' HB ' ' A' ' 9' ' ' ILE . 90.9 m -61.9 121.54 13.2 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 178.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.414 HE21 ' HB2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.121 -0.942 . . . . 0.0 111.595 -176.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.026 -0.43 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.0 mp 67.74 176.46 0.25 Allowed 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.236 0.614 . . . . 0.0 111.489 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp 58.91 76.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.972 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -153.99 -52.1 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.38 -176.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -149.92 116.12 5.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.29 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.427 ' C ' ' H ' ' A' ' 8' ' ' CYS . 17.5 mt 55.83 51.53 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 121.311 0.577 . . . . 0.0 109.594 -178.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 70.22 -44.45 0.57 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.373 -174.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.427 ' H ' ' C ' ' A' ' 6' ' ' ILE . 18.0 p 176.47 160.76 0.35 Allowed 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.985 0.914 . . . . 0.0 109.026 177.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.45 ' O ' ' HA ' ' A' ' 21' ' ' CYS . 22.3 mt -86.29 117.24 30.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.432 HE21 ' HB2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -83.17 165.67 19.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.229 0.538 . . . . 0.0 112.333 -169.494 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 39.3 ttmt -47.94 128.31 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.687 -1.142 . . . . 0.0 113.033 -176.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.8 -13.72 62.15 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.999 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -98.01 151.48 37.57 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.839 0.319 . . . . 0.0 110.67 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.565 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 23.5 Cg_exo -63.91 136.44 52.91 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.986 2.457 . . . . 0.0 112.975 -178.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -150.83 131.41 13.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.715 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 60.2 mtm -95.3 -10.55 29.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.978 0.418 . . . . 0.0 110.776 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG3' ' H ' ' A' ' 19' ' ' SER . 8.8 tp10 -134.77 140.21 45.74 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -63.59 -27.55 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.21 -174.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.425 ' H ' ' HG3' ' A' ' 17' ' ' GLU . 16.0 m -63.44 -38.06 89.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.566 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.415 ' OD1' ' HB3' ' A' ' 17' ' ' GLU . 4.4 m-20 -60.87 -45.55 94.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.105 0.479 . . . . 0.0 110.963 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.706 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 5.9 t -62.47 129.79 42.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.731 -176.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 64.0 m -56.67 -30.86 63.85 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.916 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.706 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 18.9 mmm180 -80.4 -16.81 53.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.96 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.17 4.96 89.86 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.437 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 p -133.9 116.81 24.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.497 0.665 . . . . 0.0 111.221 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 84.9 m -113.76 112.76 23.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.035 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -123.53 132.36 53.88 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.5 30.58 19.87 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.675 0.609 . . . . 0.0 110.451 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.565 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 70.1 mt 64.16 28.45 14.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.639 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.633 ' HE2' ' CE1' ' A' ' 30' ' ' PHE . 70.1 m-85 -131.36 141.63 49.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.908 0.385 . . . . 0.0 110.818 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.6 t -69.38 116.16 9.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.53 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.451 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 25.2 mm-40 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.785 -172.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.903 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -130.39 30.16 4.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.156 0.503 . . . . 0.0 110.584 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.727 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 12.9 pt -128.83 170.99 17.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.414 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -100.47 15.75 26.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.805 -173.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.3 p -147.92 131.97 17.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.429 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.1 mt 67.53 -79.23 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 O-C-N 123.597 0.561 . . . . 0.0 110.667 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.3 60.79 5.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.414 0.626 . . . . 0.0 110.254 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.727 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 5.3 p -64.99 170.26 4.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.931 -1.032 . . . . 0.0 111.204 -178.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.3 mt -86.89 119.77 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -77.38 163.82 26.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.583 0.706 . . . . 0.0 112.171 -170.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 23.4 ttpp -48.31 127.85 13.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.238 -1.347 . . . . 0.0 111.552 175.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.56 -2.15 57.27 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.202 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.6 mt -116.8 154.47 49.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 117.046 0.423 . . . . 0.0 111.041 -179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -66.7 137.03 44.34 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.104 2.536 . . . . 0.0 113.353 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 20' ' ' ASP . 10.9 p -146.29 132.71 19.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.43 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 77.1 mtp -92.35 -23.92 19.08 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.565 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -123.58 140.89 52.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -53.46 -30.44 40.81 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.709 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.8 m -62.68 -30.47 71.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.431 0.457 . . . . 0.0 111.831 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.411 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 49.3 m-20 -67.65 -39.47 84.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -176.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.5 t -66.45 133.16 49.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.842 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.8 m -55.51 -28.98 57.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.603 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.49 HH21 ' C ' ' A' ' 32' ' ' GLN . 41.5 mtm180 -95.79 0.08 51.86 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.631 -0.427 . . . . 0.0 111.271 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.51 10.78 85.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.257 -0.497 . . . . 0.0 113.262 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.428 HG11 ' HG2' ' A' ' 32' ' ' GLN . 1.3 p -132.18 116.67 30.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.627 0.727 . . . . 0.0 111.619 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.7 m -114.9 122.3 45.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.054 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -126.5 132.02 51.49 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.66 26.93 16.65 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.319 0.58 . . . . 0.0 110.184 -172.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.0 mt 64.2 31.35 13.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.396 -177.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.661 ' HE1' ' CE2' ' A' ' 30' ' ' PHE . 73.4 m-85 -129.46 140.32 51.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.256 173.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.13 112.26 5.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.49 ' C ' HH21 ' A' ' 23' ' ' ARG . 2.3 pt20 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.31 -0.852 . . . . 0.0 111.188 -172.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 112.18 -0.368 . . . . 0.0 112.18 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.2 mt -137.32 59.33 1.68 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 0.0 109.982 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.8 pt -125.89 145.59 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.284 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.406 ' HG3' ' HA ' ' A' ' 22' ' ' CYS . 31.2 tt0 -53.89 94.87 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.314 0.646 . . . . 0.0 110.899 177.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 p -168.42 -84.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.62 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.4 mt -128.16 -50.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.26 72.39 8.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.048 175.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 p -106.8 -177.31 3.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.883 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 mt -95.21 135.29 29.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 172.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.04 165.96 15.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.962 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -52.35 133.16 34.88 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.083 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.25 76.81 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.662 -0.699 . . . . 0.0 113.242 173.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.6 mt -99.93 152.29 37.77 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.749 0.275 . . . . 0.0 110.825 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.598 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 19.6 Cg_exo -65.65 138.1 52.69 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.07 2.513 . . . . 0.0 113.087 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 p -124.28 176.52 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.389 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -122.12 -9.15 8.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.803 0.335 . . . . 0.0 110.197 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -162.01 156.41 22.18 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.951 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -58.73 -38.32 78.1 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.927 0.394 . . . . 0.0 111.337 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -64.41 -13.13 49.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.915 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -72.24 -32.07 66.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.341 0.591 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 m -95.13 137.87 33.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.657 -173.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.406 ' HA ' ' HG3' ' A' ' 4' ' ' GLU . 12.3 m -58.02 -32.34 67.85 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.895 0.379 . . . . 0.0 111.747 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -77.9 -5.17 50.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.157 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.48 4.05 43.2 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 116.248 -0.433 . . . . 0.0 114.04 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -128.86 115.2 35.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.834 0.826 . . . . 0.0 111.193 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.8 t -118.68 130.09 55.64 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.341 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -127.67 128.14 44.94 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.95 35.98 18.9 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.663 0.602 . . . . 0.0 110.841 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.598 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 58.7 mt 59.12 30.03 19.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.475 -177.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -128.79 128.74 44.56 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 171.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.0 m -63.45 123.41 18.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.327 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.616 -0.707 . . . . 0.0 109.923 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.556 ' HG ' ' H ' ' A' ' 7' ' ' ALA . 6.9 mp 57.76 52.69 7.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.881 178.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 mt -65.88 -73.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -93.7 -62.1 1.42 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 p -103.95 170.22 8.05 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.962 176.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.401 HD13 ' N ' ' A' ' 6' ' ' ILE . 3.3 mp -64.25 120.76 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.556 ' H ' ' HG ' ' A' ' 2' ' ' LEU . . . 65.74 25.26 11.44 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 123.766 0.666 . . . . 0.0 111.358 -178.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.3 p 57.85 176.52 0.05 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.346 1.058 . . . . 0.0 112.176 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.7 mt -89.22 140.25 16.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.751 174.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -82.2 163.09 22.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.381 0.61 . . . . 0.0 111.962 -176.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -61.08 135.42 57.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.195 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.9 -2.35 87.77 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.963 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 mt -100.97 153.69 37.58 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 122.634 -0.333 . . . . 0.0 110.325 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.564 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 31.2 Cg_exo -59.95 135.41 62.86 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.121 2.548 . . . . 0.0 113.212 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.1 p -140.99 159.06 43.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.57 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -115.76 -26.95 7.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.789 0.328 . . . . 0.0 110.521 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.428 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . 9.0 tp10 -124.95 154.61 40.91 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -59.19 -44.32 92.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.846 0.355 . . . . 0.0 111.076 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -65.14 -14.71 61.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.447 -176.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.428 ' OD1' ' HB3' ' A' ' 17' ' ' GLU . 39.1 m-20 -59.14 -35.34 73.33 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.27 0.557 . . . . 0.0 110.639 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.1 t -105.27 144.54 31.91 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.199 -175.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.2 m -58.48 -21.35 51.37 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.533 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.403 ' HD3' ' SG ' ' A' ' 31' ' ' CYS . 74.3 mtp85 -84.44 -10.74 57.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.61 14.99 63.47 Favored Glycine 0 C--N 1.332 0.337 0 CA-C-N 116.048 -0.523 . . . . 0.0 114.115 174.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 p -134.35 115.66 20.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.605 0.717 . . . . 0.0 111.437 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.0 t -117.68 120.26 37.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.799 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -136.26 136.42 39.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.6 26.42 16.12 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.528 -174.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.564 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 56.7 mt 61.6 28.21 17.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.503 -177.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -133.33 139.78 47.05 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 172.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.403 ' SG ' ' HD3' ' A' ' 23' ' ' ARG . 42.9 t -67.54 119.75 12.84 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.13 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.856 178.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.859 0 N-CA-C 112.072 -0.411 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.417 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 1.3 pp -84.29 176.26 8.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.471 0.177 . . . . 0.0 111.43 -177.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.417 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 76.1 mt 71.91 80.37 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 O-C-N 123.705 0.628 . . . . 0.0 109.662 -174.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -125.19 -12.88 6.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.542 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 m -132.77 70.87 1.46 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.781 -177.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.7 mt 58.08 83.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.289 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 65.84 178.3 0.21 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.388 -175.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.4 p -92.24 141.27 28.75 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.088 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.4 mt -82.76 140.33 16.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.525 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.606 ' HA ' HE21 ' A' ' 10' ' ' GLN . 0.0 OUTLIER -87.42 166.7 14.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.118 0.485 . . . . 0.0 111.645 -173.395 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -54.38 132.96 45.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.795 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.67 -12.8 65.94 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.958 -0.639 . . . . 0.0 113.167 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -99.86 151.27 37.43 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 117.009 0.405 . . . . 0.0 110.389 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.454 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 27.4 Cg_exo -62.83 137.13 61.27 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.236 2.624 . . . . 0.0 113.659 -176.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.4 p -140.08 161.49 37.49 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.242 175.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.2 mtt -125.2 -23.26 4.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.781 0.324 . . . . 0.0 111.088 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -123.82 147.26 47.74 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.405 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 15.8 m-70 -59.97 -29.18 68.26 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.669 0.271 . . . . 0.0 110.944 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -65.18 -27.56 68.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.416 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -65.2 -47.61 76.29 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.723 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 14.6 t -72.39 126.75 30.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.693 -177.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -17.22 64.37 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.948 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.723 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 19.7 mmm180 -81.59 -14.88 56.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.784 177.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.53 3.93 90.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.277 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.405 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 1.8 p -132.68 115.03 23.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.729 0.776 . . . . 0.0 110.771 -178.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -116.62 112.91 21.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.319 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -130.03 140.55 50.85 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.66 27.55 14.44 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.719 0.637 . . . . 0.0 110.536 -174.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.454 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 49.7 mt 62.62 28.31 16.57 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.137 -178.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -132.84 142.45 48.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.163 0.506 . . . . 0.0 110.945 175.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.5 t -72.91 119.77 17.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.053 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.551 -0.738 . . . . 0.0 111.241 -177.217 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 112.147 -0.381 . . . . 0.0 112.147 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.408 ' C ' ' HB3' ' A' ' 8' ' ' CYS . 9.9 mp 51.83 50.71 18.07 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 122.635 0.374 . . . . 0.0 111.449 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -162.24 137.44 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.203 0.525 . . . . 0.0 111.446 -178.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.41 -67.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 174.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -96.8 -167.86 1.62 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.843 171.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.411 HD13 ' N ' ' A' ' 6' ' ' ILE . 2.7 mp -62.15 117.66 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 177.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.25 58.29 3.98 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.663 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.408 ' HB3' ' C ' ' A' ' 2' ' ' LEU . 8.2 p 49.17 170.33 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.728 1.211 . . . . 0.0 113.733 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.5 mt -89.59 131.36 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.345 174.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -69.33 152.27 45.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.541 0.686 . . . . 0.0 111.464 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' HZ2' ' HB3' ' A' ' 11' ' ' LYS . 4.1 ttpm? -58.47 136.57 57.54 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.658 -1.156 . . . . 0.0 110.944 178.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.58 -5.02 73.51 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.839 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.9 mt -103.38 158.51 31.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.697 0.249 . . . . 0.0 110.515 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.488 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 39.6 Cg_exo -61.98 135.24 54.14 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.864 2.376 . . . . 0.0 112.922 178.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 p -139.75 165.64 26.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.264 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.3 mtt -117.38 -35.06 4.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.773 0.32 . . . . 0.0 110.555 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 18' ' ' HIS . 0.4 OUTLIER -121.72 159.07 27.36 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.173 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.401 ' H ' ' CD ' ' A' ' 17' ' ' GLU . 42.0 m-70 -60.88 -43.87 97.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 p -64.36 -15.56 60.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -177.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -62.15 -45.97 91.07 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.289 0.566 . . . . 0.0 111.142 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.3 t -88.07 151.49 22.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.527 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.8 m -60.23 -27.51 67.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.568 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.691 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 17.6 mmm180 -76.43 -18.28 58.9 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.047 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.9 4.97 68.48 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 121.038 -0.601 . . . . 0.0 113.321 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -131.62 115.98 29.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.474 0.654 . . . . 0.0 111.268 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.5 t -116.99 129.5 56.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.824 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -139.57 130.55 26.31 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.126 0.266 . . . . 0.0 110.46 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.57 33.88 23.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.052 0.453 . . . . 0.0 110.809 -177.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.488 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 48.4 mt 64.22 21.73 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.57 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.648 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 52.1 m-85 -131.68 139.98 49.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.068 0.461 . . . . 0.0 110.195 174.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.691 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 42.6 t -79.13 131.28 36.17 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.193 -177.699 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.698 -0.667 . . . . 0.0 111.537 -177.473 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.0 tp -131.1 -62.76 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.685 0.243 . . . . 0.0 110.447 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.4 tp -178.84 -23.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.102 -179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 51.49 20.35 1.0 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.52 1.128 . . . . 0.0 113.018 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 43.7 p -161.51 144.52 12.33 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.421 ' HB ' ' O ' ' A' ' 5' ' ' SER . 67.5 mt 70.51 -64.74 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 O-C-N 123.598 0.561 . . . . 0.0 110.193 -175.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.44 68.64 0.86 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.23 0.538 . . . . 0.0 111.01 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 p -67.34 163.75 20.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.149 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.5 mt -77.2 128.2 38.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.816 0.341 . . . . 0.0 110.084 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -77.37 164.53 25.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.836 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -56.32 135.71 53.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.716 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.39 -1.97 86.27 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.916 174.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.4 mt -101.89 148.64 35.61 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.501 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 32.4 Cg_exo -61.01 126.13 18.8 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.144 2.562 . . . . 0.0 113.233 -176.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.6 p -129.33 162.64 27.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.282 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.6 mtt -128.93 -6.41 5.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.998 0.428 . . . . 0.0 110.803 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -141.01 155.4 46.2 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.441 ' O ' ' HA2' ' A' ' 24' ' ' GLY . 20.5 m-70 -70.87 -37.62 73.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.283 -177.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.7 p -67.94 -36.06 79.48 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -174.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -68.4 -30.22 69.09 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.9 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.9 t -72.18 133.61 45.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.214 0.531 . . . . 0.0 109.97 173.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.1 m -55.15 -31.56 61.41 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.098 -0.955 . . . . 0.0 113.222 -175.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -96.43 3.6 52.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.993 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 18' ' ' HIS . . . 73.11 16.8 78.5 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.913 176.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.41 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 2.2 p -135.94 115.65 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.707 0.765 . . . . 0.0 111.221 -179.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.6 t -115.73 112.66 22.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.64 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -126.86 135.84 51.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.581 -178.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.0 26.25 13.26 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.764 0.665 . . . . 0.0 110.62 -175.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.501 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 49.2 mt 62.97 29.21 16.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.768 -176.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -131.78 134.15 45.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.824 0.345 . . . . 0.0 110.292 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.5 t -64.56 118.34 8.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.714 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 . . . . . 0 C--O 1.244 0.777 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.591 -176.911 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 112.087 -0.405 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 53.65 54.68 9.59 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 123.084 0.554 . . . . 0.0 110.806 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.6 mt -101.52 -67.1 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.087 0.47 . . . . 0.0 109.971 177.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -124.9 -89.53 0.58 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.005 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 p -118.24 131.49 56.36 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.189 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.4 mt 53.89 53.65 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.363 0.601 . . . . 0.0 109.48 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 71.78 -50.7 0.69 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.506 -176.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 p -168.45 153.76 6.55 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.8 mt -79.54 128.08 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.555 ' HA ' HE21 ' A' ' 10' ' ' GLN . 0.1 OUTLIER -88.58 166.44 14.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.914 -169.611 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 22.8 ttmm -49.71 131.1 21.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.122 -0.945 . . . . 0.0 112.464 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.25 -2.35 85.11 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.085 175.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.6 mt -103.94 149.25 37.0 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 116.794 0.297 . . . . 0.0 110.61 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.474 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 21.7 Cg_exo -64.84 134.48 40.54 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.051 2.501 . . . . 0.0 113.291 -176.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 p -137.98 161.26 37.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.51 176.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -113.7 -25.67 8.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 110.764 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -127.73 153.39 46.58 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -63.83 -31.96 73.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.483 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 m -69.72 -28.69 66.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.633 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -59.88 -43.18 94.91 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.582 0.706 . . . . 0.0 109.52 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.656 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 6.5 t -70.41 127.37 32.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.305 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.25 -19.2 62.96 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.164 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.656 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 17.6 mmm180 -85.17 -12.21 53.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.943 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.13 4.88 90.43 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.312 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 p -134.23 115.43 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.625 0.726 . . . . 0.0 111.099 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.5 t -115.8 111.71 20.9 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -125.48 135.98 52.89 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.0 28.15 15.83 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.602 0.564 . . . . 0.0 110.397 -172.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 42.6 mt 61.88 29.33 17.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.66 -177.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -129.72 139.96 51.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.072 0.463 . . . . 0.0 110.521 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.5 t -71.38 123.36 22.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.85 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 19.9 mt-30 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.674 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.493 ' O ' ' HA ' ' A' ' 19' ' ' SER . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 pp -145.9 159.51 43.12 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.57 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 76.3 mt 66.77 95.48 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.387 0.613 . . . . 0.0 111.51 177.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -130.75 -62.9 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.217 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 p -112.65 117.87 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.893 -177.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.1 mt 54.56 66.38 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -177.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.57 ' O ' ' HA ' ' A' ' 3' ' ' ILE . . . 56.64 -103.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.965 -171.237 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -136.18 147.38 47.64 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.576 ' HB ' ' SG ' ' A' ' 31' ' ' CYS . 29.7 mt -78.47 131.87 33.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.209 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -76.0 160.8 29.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.183 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -56.2 132.2 49.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.319 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.37 -1.65 60.56 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.476 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.0 mt -101.62 149.86 36.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 117.248 0.524 . . . . 0.0 110.664 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 25.3 Cg_exo -62.98 124.93 14.86 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.037 2.491 . . . . 0.0 112.93 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -130.46 164.7 24.21 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.498 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 83.5 mtp -134.87 2.61 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.804 0.335 . . . . 0.0 110.65 173.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HB3' ' OD2' ' A' ' 20' ' ' ASP . 7.6 tp10 -146.92 144.78 29.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.486 ' HB3' ' O ' ' A' ' 24' ' ' GLY . 19.2 m-70 -71.41 -38.83 71.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.04 -171.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 1' ' ' GLY . 48.8 m -66.49 -20.46 66.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -175.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.536 ' OD2' ' HB3' ' A' ' 17' ' ' GLU . 15.5 m-20 -70.2 -31.05 68.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.925 0.393 . . . . 0.0 110.772 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 m -85.56 143.09 28.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.903 -178.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -26.6 68.86 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -172.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -94.66 3.95 54.44 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.864 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.486 ' O ' ' HB3' ' A' ' 18' ' ' HIS . . . 70.59 19.32 76.34 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.681 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 p -130.26 116.9 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.716 0.77 . . . . 0.0 112.087 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.6 113.31 23.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.811 175.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -128.78 134.86 48.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.603 0.239 . . . . 0.0 110.753 -176.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.13 28.16 17.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.51 -175.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 53.4 mt 61.63 29.23 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.44 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.635 ' HE2' ' CE1' ' A' ' 30' ' ' PHE . 67.9 m-85 -136.13 132.85 36.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.823 173.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.576 ' SG ' ' HB ' ' A' ' 9' ' ' ILE . 98.7 m -63.16 124.92 22.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.691 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.368 -178.179 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.56 ' O ' ' HA ' ' A' ' 19' ' ' SER . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 112.214 -0.354 . . . . 0.0 112.214 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mp -119.78 146.87 45.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.809 -0.23 . . . . 0.0 110.65 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 87.7 mt 70.61 106.51 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 O-C-N 123.801 0.688 . . . . 0.0 111.586 175.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.72 -36.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.603 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t -111.7 77.32 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.9 mt 58.22 82.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -174.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 61.27 -157.31 0.34 Allowed 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -170.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.5 p -100.87 138.61 37.69 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.394 173.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.2 mt -78.82 144.92 10.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.767 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -83.66 161.32 21.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.296 0.57 . . . . 0.0 111.741 -176.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 24.8 ttpp -57.66 131.86 51.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.727 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.84 -13.18 59.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.86 -0.685 . . . . 0.0 113.288 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -99.45 155.33 36.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.87 0.335 . . . . 0.0 110.915 -176.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.525 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 36.1 Cg_exo -59.46 140.67 95.24 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.193 2.596 . . . . 0.0 113.446 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 p -147.53 161.19 41.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.151 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.0 mtm -119.78 -13.43 9.1 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.228 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -146.38 154.23 41.4 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.471 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 22.6 m-70 -55.02 -47.82 74.21 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.56 ' HA ' ' O ' ' A' ' 1' ' ' GLY . 59.4 m -64.0 -13.95 50.4 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -174.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -59.15 -43.84 92.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.681 0.277 . . . . 0.0 110.655 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.5 t -90.45 152.44 20.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.288 0.566 . . . . 0.0 111.664 -172.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.5 m -63.25 -17.82 62.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.19 176.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -89.92 -14.01 35.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.792 0.329 . . . . 0.0 111.206 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.5 18.52 75.53 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.164 -0.541 . . . . 0.0 113.151 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.471 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 1.6 p -140.17 116.92 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.293 0.568 . . . . 0.0 111.214 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.9 t -116.33 126.04 52.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.811 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -134.74 129.72 35.11 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.07 31.33 19.79 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 44.2 mt 62.38 26.56 15.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.475 -177.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -136.65 142.33 43.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 172.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.5 t -72.67 126.32 29.6 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 3.5 pt20 . . . . . 0 C--O 1.246 0.873 0 O-C-N 123.888 0.742 . . . . 0.0 112.288 -173.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 1' ' ' GLY . 4.6 mm? 73.3 153.58 0.14 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.458 0.703 . . . . 0.0 111.15 -178.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 60.8 mt 67.13 86.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 121.662 0.744 . . . . 0.0 111.504 178.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -105.01 1.07 28.28 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 169.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -150.37 163.16 39.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.123 -1.399 . . . . 0.0 107.765 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.5 mt -58.59 111.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 123.474 0.484 . . . . 0.0 110.275 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.412 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . 59.14 50.54 7.93 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.271 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 7' ' ' ALA . 15.2 p 51.26 172.55 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.804 1.242 . . . . 0.0 113.436 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.4 mt -92.86 130.09 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.222 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.26 152.46 45.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.485 -174.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -56.88 129.73 42.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.526 -1.216 . . . . 0.0 110.526 176.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.24 -12.4 57.14 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.783 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.7 mt -102.32 152.46 38.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 122.586 -0.361 . . . . 0.0 110.934 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 23.6 Cg_exo -63.65 138.86 66.57 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.099 2.533 . . . . 0.0 113.01 -178.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 20' ' ' ASP . 14.0 p -153.53 134.34 13.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.294 176.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 79.9 mtp -100.96 7.34 43.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.838 0.351 . . . . 0.0 111.185 -174.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -152.35 136.1 16.23 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.493 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 7.1 m-70 -53.88 -33.83 57.63 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.643 -174.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.453 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 19.3 m -74.04 -15.52 61.07 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -176.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.404 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -68.97 -47.17 66.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.092 0.473 . . . . 0.0 110.049 175.794 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.3 t -65.54 133.67 51.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.911 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.3 m -55.43 -27.11 45.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.084 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -86.74 -7.75 57.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.311 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.81 7.03 88.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.562 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.493 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 0.4 OUTLIER -138.73 116.77 12.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.49 0.662 . . . . 0.0 111.376 -177.241 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 67.1 m -110.29 121.49 45.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.823 177.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -120.27 131.18 54.81 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.23 33.29 23.0 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.53 0.519 . . . . 0.0 110.789 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.444 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 66.5 mt 62.54 31.66 16.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.46 -177.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 1.656 ' HE1' ' CE2' ' A' ' 30' ' ' PHE . 64.8 m-85 -135.0 143.5 46.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.429 174.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.49 111.56 4.77 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.498 ' HG3' ' OXT' ' A' ' 32' ' ' GLN . 2.6 pt20 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.958 -1.02 . . . . 0.0 112.495 -169.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -84.78 120.04 34.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -74.79 161.93 29.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.608 -171.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 36.3 ttpt -49.3 128.79 17.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.931 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.96 -8.19 65.2 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.024 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.2 mt -101.81 151.09 37.88 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 117.056 0.428 . . . . 0.0 110.482 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.567 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 16.1 Cg_exo -67.05 136.89 42.55 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.946 2.43 . . . . 0.0 112.762 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 p -140.75 158.51 43.86 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.649 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -126.19 25.04 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.364 0.602 . . . . 0.0 109.814 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.582 ' HG3' ' H ' ' A' ' 19' ' ' SER . 9.2 tp10 -170.98 141.82 1.76 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.908 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -63.94 -29.55 70.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.542 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.582 ' H ' ' HG3' ' A' ' 17' ' ' GLU . 6.3 t -72.8 -17.91 61.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.439 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -71.42 -47.28 56.97 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.244 0.545 . . . . 0.0 110.306 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 t -67.58 137.06 55.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.742 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.3 m -54.55 -36.5 64.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.644 -1.162 . . . . 0.0 113.272 -173.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -104.66 18.94 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.858 -0.737 . . . . 0.0 112.261 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.6 15.67 81.08 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.02 -0.61 . . . . 0.0 114.445 167.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 p -131.03 113.29 23.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.812 0.815 . . . . 0.0 111.645 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.1 t -117.75 111.69 19.44 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.169 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -128.41 138.58 52.4 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.64 26.77 16.37 Favored 'General case' 0 CA--C 1.521 -0.153 0 O-C-N 123.768 0.667 . . . . 0.0 110.307 -174.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 58.1 mt 61.27 31.63 19.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.428 -176.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -137.14 139.23 41.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.983 0.42 . . . . 0.0 110.377 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.6 t -68.51 116.25 8.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.518 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.422 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 61.5 mt-30 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.364 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 122.293 1.044 . . . . 0.0 113.009 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.63 141.52 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.465 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.431 ' HB2' HD23 ' A' ' 13' ' ' LEU . 83.7 mm-40 -89.34 166.67 13.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.397 -174.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HG3' ' OXT' ' A' ' 32' ' ' GLN . 25.0 ttpp -57.63 130.96 48.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.119 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.07 -2.85 76.14 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.32 175.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.431 HD23 ' HB2' ' A' ' 10' ' ' GLN . 3.2 mm? -101.45 155.87 35.85 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.951 0.375 . . . . 0.0 110.381 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.608 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 35.6 Cg_exo -62.47 130.37 29.82 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.152 2.568 . . . . 0.0 112.976 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 29' ' ' LEU . 23.2 p -146.25 137.2 24.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.471 176.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.2 mtt -105.34 5.2 31.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.114 0.483 . . . . 0.0 110.821 -174.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . 36.6 tt0 -158.05 142.36 16.0 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.581 ' O ' ' HA2' ' A' ' 24' ' ' GLY . 13.1 m-70 -61.26 -27.23 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.623 -175.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 m -68.73 -38.54 80.28 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -172.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.481 ' OD1' ' HB3' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -75.91 -16.06 60.09 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -172.787 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -88.03 146.51 25.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.131 0.491 . . . . 0.0 110.727 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.5 m -61.89 -30.33 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.191 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -91.54 -8.37 47.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.586 -175.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.581 ' HA2' ' O ' ' A' ' 18' ' ' HIS . . . 65.19 20.6 67.36 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 114.476 0.55 . . . . 0.0 114.476 173.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.515 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 2.9 p -139.07 113.63 7.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 117.799 0.8 . . . . 0.0 111.302 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.1 m -118.25 127.5 53.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.041 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -136.19 133.06 36.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.55 32.02 21.68 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.571 0.544 . . . . 0.0 110.947 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.608 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 52.4 mt 63.19 27.21 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.471 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -132.51 140.19 48.23 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 171.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.4 t -77.75 126.12 30.38 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.314 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.432 ' OXT' ' HG3' ' A' ' 11' ' ' LYS . 20.3 mt-30 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.878 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 121.181 0.515 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.1 mt -89.71 130.66 38.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.371 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HG2' HD12 ' A' ' 13' ' ' LEU . 4.1 pt20 -78.89 163.13 25.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.257 0.551 . . . . 0.0 111.911 -173.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HG3' ' OXT' ' A' ' 32' ' ' GLN . 45.4 tttm -51.09 131.56 27.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.033 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.62 -6.18 67.54 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.976 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.437 HD12 ' HG2' ' A' ' 10' ' ' GLN . 56.1 mt -104.47 150.85 38.95 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.848 0.324 . . . . 0.0 110.646 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.534 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 33.9 Cg_exo -62.37 142.83 92.37 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.109 2.539 . . . . 0.0 113.383 -178.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.1 p -138.95 155.3 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.517 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.8 mtt -116.98 -13.83 10.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.27 0.557 . . . . 0.0 110.305 178.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -136.28 146.93 47.22 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -55.72 -39.38 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.543 0.211 . . . . 0.0 111.14 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -64.46 -15.47 60.76 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -67.45 -47.26 70.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.125 0.488 . . . . 0.0 109.969 176.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 t -69.78 140.35 53.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.36 -174.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.8 m -58.73 -32.2 68.99 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.686 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.418 HH21 ' C ' ' A' ' 32' ' ' GLN . 48.7 mtm180 -94.12 1.53 56.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.353 178.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.06 6.08 81.92 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.711 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.87 115.35 49.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.136 0.494 . . . . 0.0 110.82 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.5 t -115.21 112.97 23.29 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -127.41 131.69 50.24 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.49 25.96 15.58 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.851 0.719 . . . . 0.0 110.208 -174.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 46.7 mt 60.53 34.73 20.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.962 -174.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -133.78 138.65 45.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.104 172.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.8 t -68.39 125.17 25.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.469 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.442 ' OXT' ' HG3' ' A' ' 11' ' ' LYS . 40.7 mt-30 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.432 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 121.789 0.804 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.2 mt -99.56 142.63 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.416 173.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -88.93 168.09 12.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.045 0.45 . . . . 0.0 111.784 -176.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HD3' HH22 ' A' ' 23' ' ' ARG . 23.1 ttpp -51.09 141.08 14.79 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.243 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.47 -3.75 76.55 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.974 -0.631 . . . . 0.0 113.308 171.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.6 mt -101.12 152.48 37.91 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.587 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 31.0 Cg_exo -62.1 131.51 34.97 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.023 2.482 . . . . 0.0 113.171 -177.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 p -138.65 161.69 36.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.999 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.9 mtt -120.83 -21.38 6.63 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.997 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -130.44 149.72 51.98 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.442 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 8.7 m-70 -54.48 -41.94 70.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.66 0.266 . . . . 0.0 111.482 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.1 m -66.16 -14.02 61.15 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -59.03 -36.95 75.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.157 0.503 . . . . 0.0 110.284 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.7 t -100.81 145.63 28.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.737 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 58.8 m -58.24 -28.07 64.54 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.083 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.426 HH22 ' HD3' ' A' ' 11' ' ' LYS . 51.1 mtm-85 -80.84 -6.46 58.62 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.545 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 18' ' ' HIS . . . 67.06 23.91 73.05 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.106 176.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.442 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 3.1 p -135.29 114.28 16.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.665 0.745 . . . . 0.0 111.164 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.0 t -118.42 117.38 28.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.453 177.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -126.62 132.73 51.19 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.66 28.25 17.96 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 123.581 0.55 . . . . 0.0 110.927 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.587 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 51.0 mt 62.41 31.42 17.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.166 -177.409 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -138.02 140.77 40.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.344 172.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.5 t -71.37 133.09 45.71 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.948 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 . . . . . 0 C--O 1.249 1.065 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.736 177.491 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.449 -0.486 0 CA-C-O 121.021 0.439 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.8 mt -85.7 144.0 10.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.252 -174.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -76.67 159.27 30.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.441 -175.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -64.09 129.32 39.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.328 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.51 -8.15 66.32 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.151 -0.547 . . . . 0.0 113.377 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.29 156.82 35.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.873 0.337 . . . . 0.0 110.854 -176.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 37.0 Cg_exo -61.18 133.21 45.48 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.203 2.602 . . . . 0.0 113.468 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -136.74 172.29 13.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.249 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 64.3 mtt -133.45 -31.5 1.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.416 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -123.04 151.89 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 177.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -59.92 -27.9 67.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.619 0.247 . . . . 0.0 111.385 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -71.31 -17.02 62.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.623 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -66.33 -47.48 73.35 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.269 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.5 m -79.62 138.35 37.39 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.476 -173.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.4 m -56.06 -35.52 67.04 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.699 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 23' ' ' ARG . 12.8 ptm180 -88.36 10.62 19.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.581 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.83 4.76 49.05 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 114.714 0.645 . . . . 0.0 114.714 171.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.427 ' HB ' ' HG2' ' A' ' 32' ' ' GLN . 61.3 t -124.02 120.01 58.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 117.774 0.787 . . . . 0.0 111.863 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.0 t -115.24 125.26 53.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -132.75 127.68 35.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.714 -0.106 . . . . 0.0 110.714 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.17 33.04 22.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.142 0.496 . . . . 0.0 111.0 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 49.0 mt 63.3 27.05 15.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.341 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -137.93 134.54 35.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.081 173.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.4 m -66.03 117.06 7.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.048 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 2.5 pt20 . . . . . 0 C--O 1.244 0.802 0 O-C-N 123.962 0.789 . . . . 0.0 112.482 -174.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 122.058 0.932 . . . . 0.0 111.644 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.6 mt -90.32 145.73 7.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.716 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -77.09 157.08 31.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.365 0.602 . . . . 0.0 111.003 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 39.3 ttpt -63.22 134.31 55.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.028 -178.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.29 -3.55 72.68 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.04 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.8 mt -104.3 156.56 35.62 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.878 0.339 . . . . 0.0 110.836 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.514 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 32.4 Cg_exo -59.56 135.84 67.19 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.165 2.577 . . . . 0.0 113.272 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.3 p -147.28 169.48 19.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.137 -0.938 . . . . 0.0 108.81 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.8 ttp -122.4 -26.11 4.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.379 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -125.83 152.43 45.49 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -58.01 -43.26 86.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.701 0.286 . . . . 0.0 111.225 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 p -68.36 -14.51 63.05 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -59.47 -35.41 74.03 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 110.7 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.4 t -102.54 146.35 28.27 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.38 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.6 m -62.16 -19.78 63.43 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.547 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 20.7 mmm180 -71.9 -18.02 62.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.183 176.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.89 7.0 69.06 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.381 -0.438 . . . . 0.0 112.826 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 p -136.15 114.89 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.545 0.688 . . . . 0.0 111.47 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.7 t -118.0 118.18 31.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.51 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -133.84 138.02 45.39 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.83 28.22 17.66 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.512 0.508 . . . . 0.0 110.821 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.514 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 55.8 mt 65.03 22.41 12.39 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.83 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -133.87 137.11 44.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.948 0.404 . . . . 0.0 110.106 174.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 36.4 t -70.92 128.41 35.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.332 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.045 -176.927 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 p . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.7 mt -77.46 128.24 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.106 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -72.11 157.55 37.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.54 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -53.88 130.15 36.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.021 177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.77 -6.2 69.97 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.944 -0.646 . . . . 0.0 113.073 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.9 mt -101.02 152.28 37.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.787 0.294 . . . . 0.0 110.675 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 25.4 Cg_exo -63.45 132.9 37.62 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.164 2.576 . . . . 0.0 113.142 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.3 p -141.63 168.56 19.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.19 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -122.84 -28.67 4.09 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.563 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.24 159.23 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.251 -0.28 . . . . 0.0 110.389 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -52.45 -49.68 64.15 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.919 0.39 . . . . 0.0 111.065 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.9 p -60.73 -23.37 64.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.637 -175.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -62.75 -47.79 81.99 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.446 0.641 . . . . 0.0 110.151 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 6.2 t -79.7 136.18 36.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.219 -172.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.8 m -56.73 -26.31 56.73 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.112 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.567 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 19.1 mmm180 -78.43 -17.06 56.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.53 5.0 85.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.755 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.475 HG13 ' HG2' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -140.91 121.31 13.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.153 0.501 . . . . 0.0 110.494 -178.702 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.4 t -112.29 112.6 24.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.796 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -120.21 131.72 55.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.383 -175.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.63 29.79 19.26 Favored 'General case' 0 CA--C 1.52 -0.175 0 O-C-N 123.641 0.588 . . . . 0.0 110.606 -176.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 51.0 mt 61.34 28.22 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.444 -177.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -132.65 139.22 47.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.151 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.6 t -67.59 116.59 8.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HG2' HG13 ' A' ' 25' ' ' VAL . 2.3 pt20 . . . . . 0 C--O 1.252 1.228 0 CA-C-O 117.99 -1.005 . . . . 0.0 112.03 -171.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 121.432 0.634 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -91.78 134.62 29.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -74.32 153.97 39.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.339 0.59 . . . . 0.0 111.799 -175.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -63.29 133.15 53.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.813 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.76 -7.79 63.31 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.245 -177.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.7 mt -102.46 157.74 33.12 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.574 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 25.4 Cg_exo -63.81 133.87 41.03 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.966 2.444 . . . . 0.0 113.109 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.6 p -149.13 139.64 22.51 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.194 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 81.5 mtp -98.71 -11.38 22.01 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.62 -173.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.44 149.08 40.53 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.494 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 28.9 m-70 -51.68 -45.43 63.46 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 122.677 0.391 . . . . 0.0 111.579 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.6 p -65.08 -15.38 62.3 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -174.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -65.22 -33.74 76.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.173 0.511 . . . . 0.0 110.653 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -105.89 143.86 33.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.211 -176.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.38 -22.42 64.96 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.34 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.683 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 16.2 mmm180 -71.75 -17.48 62.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.148 176.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.6 9.65 59.09 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 113.431 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.494 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 2.7 p -137.73 114.38 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 121.695 0.76 . . . . 0.0 111.252 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.3 m -118.1 123.11 44.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.394 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -131.0 138.9 49.89 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.61 28.35 18.04 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 123.74 0.65 . . . . 0.0 110.584 -176.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 52.1 mt 63.54 28.34 15.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.234 -177.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -133.45 140.05 47.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.11 173.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 40.4 t -75.6 128.9 36.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.244 0.793 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.501 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.47 0.575 0 CA-C-O 121.353 0.597 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.438 ' HB ' ' SG ' ' A' ' 31' ' ' CYS . 11.3 mt -92.05 130.92 40.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.23 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -74.03 161.59 29.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.631 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -57.15 127.34 31.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.665 -178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.17 -2.02 63.19 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.442 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -101.68 151.3 37.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 117.241 0.52 . . . . 0.0 110.28 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.591 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 16.4 Cg_exo -67.43 143.43 63.4 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.018 2.479 . . . . 0.0 113.101 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 p -127.47 175.58 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.113 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.8 mtt -130.39 -4.98 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.841 0.353 . . . . 0.0 110.511 171.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -152.09 151.07 30.62 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -60.51 -36.14 77.65 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.763 0.316 . . . . 0.0 111.536 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 p -65.31 -14.93 61.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.434 ' HB3' HD12 ' A' ' 9' ' ' ILE . 48.1 m-20 -59.95 -43.28 95.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.965 0.412 . . . . 0.0 110.842 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 m -83.35 146.25 28.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.641 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.4 m -55.65 -40.84 72.76 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.422 HH21 ' NE2' ' A' ' 32' ' ' GLN . 15.4 mtm180 -83.14 -0.22 48.24 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.614 -177.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.3 4.74 69.81 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.022 -0.608 . . . . 0.0 113.099 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.471 HG13 ' HG2' ' A' ' 32' ' ' GLN . 2.0 p -117.73 115.5 48.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.597 0.713 . . . . 0.0 111.144 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.5 t -117.26 140.67 49.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.763 174.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -129.84 124.28 32.91 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.666 -177.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.97 38.76 24.18 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.0 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.591 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 54.4 mt 57.85 30.19 18.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.63 -177.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -134.55 130.24 36.26 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 171.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.438 ' SG ' ' HB ' ' A' ' 9' ' ' ILE . 90.9 m -61.9 121.54 13.2 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 178.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.471 ' HG2' HG13 ' A' ' 25' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.121 -0.942 . . . . 0.0 111.595 -176.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.0 p . . . . . 0 C--O 1.234 0.27 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 21' ' ' CYS . 22.3 mt -86.29 117.24 30.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -83.17 165.67 19.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.229 0.538 . . . . 0.0 112.333 -169.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 39.3 ttmt -47.94 128.31 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.687 -1.142 . . . . 0.0 113.033 -176.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.8 -13.72 62.15 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.999 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -98.01 151.48 37.57 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.839 0.319 . . . . 0.0 110.67 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.579 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 23.5 Cg_exo -63.91 136.44 52.91 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.986 2.457 . . . . 0.0 112.975 -178.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -150.83 131.41 13.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.715 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 60.2 mtm -95.3 -10.55 29.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.978 0.418 . . . . 0.0 110.776 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HG3' ' H ' ' A' ' 19' ' ' SER . 8.8 tp10 -134.77 140.21 45.74 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -63.59 -27.55 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.21 -174.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.498 ' H ' ' HG3' ' A' ' 17' ' ' GLU . 16.0 m -63.44 -38.06 89.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.566 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' OD1' ' HB3' ' A' ' 17' ' ' GLU . 4.4 m-20 -60.87 -45.55 94.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.105 0.479 . . . . 0.0 110.963 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 5.9 t -62.47 129.79 42.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.731 -176.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 64.0 m -56.67 -30.86 63.85 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.916 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.71 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 18.9 mmm180 -80.4 -16.81 53.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.96 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.17 4.96 89.86 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.437 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 p -133.9 116.81 24.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.497 0.665 . . . . 0.0 111.221 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 84.9 m -113.76 112.76 23.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.035 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -123.53 132.36 53.88 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.5 30.58 19.87 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.675 0.609 . . . . 0.0 110.451 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.579 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 70.1 mt 64.16 28.45 14.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.639 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -131.36 141.63 49.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.908 0.385 . . . . 0.0 110.818 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.6 t -69.38 116.16 9.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.53 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 25.2 mm-40 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.785 -172.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.237 0.412 0 CA-C-O 121.093 0.473 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.3 mt -86.89 119.77 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -77.38 163.82 26.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.583 0.706 . . . . 0.0 112.171 -170.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 23.4 ttpp -48.31 127.85 13.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.238 -1.347 . . . . 0.0 111.552 175.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.56 -2.15 57.27 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.202 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 73.6 mt -116.8 154.47 49.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 117.046 0.423 . . . . 0.0 111.041 -179.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 15.8 Cg_exo -66.7 137.03 44.34 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.104 2.536 . . . . 0.0 113.353 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 20' ' ' ASP . 10.9 p -146.29 132.71 19.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.43 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 77.1 mtp -92.35 -23.92 19.08 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.565 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -123.58 140.89 52.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -53.46 -30.44 40.81 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.709 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.8 m -62.68 -30.47 71.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.431 0.457 . . . . 0.0 111.831 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 49.3 m-20 -67.65 -39.47 84.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -176.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.5 t -66.45 133.16 49.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.842 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.8 m -55.51 -28.98 57.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.603 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.5 HH21 ' C ' ' A' ' 32' ' ' GLN . 41.5 mtm180 -95.79 0.08 51.86 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.631 -0.427 . . . . 0.0 111.271 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.51 10.78 85.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.257 -0.497 . . . . 0.0 113.262 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.648 HG13 ' HG2' ' A' ' 32' ' ' GLN . 1.3 p -132.18 116.67 30.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.627 0.727 . . . . 0.0 111.619 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.7 m -114.9 122.3 45.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.054 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -126.5 132.02 51.49 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.66 26.93 16.65 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.319 0.58 . . . . 0.0 110.184 -172.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 52.0 mt 64.2 31.35 13.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.396 -177.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -129.46 140.32 51.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.256 173.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.13 112.26 5.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.648 ' HG2' HG13 ' A' ' 25' ' ' VAL . 2.3 pt20 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.31 -0.852 . . . . 0.0 111.188 -172.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 p . . . . . 0 C--O 1.233 0.197 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 mt -95.21 135.29 29.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 172.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -87.04 165.96 15.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.962 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -52.35 133.16 34.88 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.083 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.25 76.81 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.662 -0.699 . . . . 0.0 113.242 173.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.6 mt -99.93 152.29 37.77 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.749 0.275 . . . . 0.0 110.825 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.599 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 19.6 Cg_exo -65.65 138.1 52.69 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.07 2.513 . . . . 0.0 113.087 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 p -124.28 176.52 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.389 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -122.12 -9.15 8.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.803 0.335 . . . . 0.0 110.197 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -162.01 156.41 22.18 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.951 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -58.73 -38.32 78.1 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.927 0.394 . . . . 0.0 111.337 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -64.41 -13.13 49.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.915 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -72.24 -32.07 66.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.341 0.591 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 m -95.13 137.87 33.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.657 -173.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.3 m -58.02 -32.34 67.85 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.895 0.379 . . . . 0.0 111.747 178.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -77.9 -5.17 50.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.157 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.48 4.05 43.2 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 116.248 -0.433 . . . . 0.0 114.04 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -128.86 115.2 35.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.834 0.826 . . . . 0.0 111.193 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.8 t -118.68 130.09 55.64 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.341 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.404 ' OE2' ' HG3' ' A' ' 32' ' ' GLN . 42.9 mt-10 -127.67 128.14 44.94 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.95 35.98 18.9 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.663 0.602 . . . . 0.0 110.841 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.599 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 58.7 mt 59.12 30.03 19.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.475 -177.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -128.79 128.74 44.56 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 171.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.0 m -63.45 123.41 18.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.327 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.404 ' HG3' ' OE2' ' A' ' 27' ' ' GLU . 29.4 mm-40 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.616 -0.707 . . . . 0.0 109.923 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 121.568 0.699 . . . . 0.0 112.176 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.7 mt -89.22 140.25 16.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.751 174.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -82.2 163.09 22.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.381 0.61 . . . . 0.0 111.962 -176.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -61.08 135.42 57.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.195 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.9 -2.35 87.77 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.963 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 mt -100.97 153.69 37.58 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 122.634 -0.333 . . . . 0.0 110.325 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.586 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 31.2 Cg_exo -59.95 135.41 62.86 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.121 2.548 . . . . 0.0 113.212 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.1 p -140.99 159.06 43.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.57 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -115.76 -26.95 7.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.789 0.328 . . . . 0.0 110.521 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . 9.0 tp10 -124.95 154.61 40.91 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -59.19 -44.32 92.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.846 0.355 . . . . 0.0 111.076 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -65.14 -14.71 61.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.447 -176.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.44 ' OD1' ' HB3' ' A' ' 17' ' ' GLU . 39.1 m-20 -59.14 -35.34 73.33 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.27 0.557 . . . . 0.0 110.639 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.1 t -105.27 144.54 31.91 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.199 -175.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.2 m -58.48 -21.35 51.37 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.533 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.405 ' HD3' ' SG ' ' A' ' 31' ' ' CYS . 74.3 mtp85 -84.44 -10.74 57.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.61 14.99 63.47 Favored Glycine 0 C--N 1.332 0.337 0 CA-C-N 116.048 -0.523 . . . . 0.0 114.115 174.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 p -134.35 115.66 20.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.605 0.717 . . . . 0.0 111.437 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.0 t -117.68 120.26 37.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.799 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -136.26 136.42 39.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.6 26.42 16.12 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.528 -174.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 56.7 mt 61.6 28.21 17.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.503 -177.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -133.33 139.78 47.05 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 172.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.405 ' SG ' ' HD3' ' A' ' 23' ' ' ARG . 42.9 t -67.54 119.75 12.84 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.13 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.856 178.956 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.4 p . . . . . 0 N--CA 1.444 -0.744 0 CA-C-O 120.983 0.42 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.4 mt -82.76 140.33 16.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.525 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -87.42 166.7 14.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.118 0.485 . . . . 0.0 111.645 -173.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -54.38 132.96 45.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.795 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.67 -12.8 65.94 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.958 -0.639 . . . . 0.0 113.167 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -99.86 151.27 37.43 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 117.009 0.405 . . . . 0.0 110.389 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 27.4 Cg_exo -62.83 137.13 61.27 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.236 2.624 . . . . 0.0 113.659 -176.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.4 p -140.08 161.49 37.49 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.242 175.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.2 mtt -125.2 -23.26 4.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.781 0.324 . . . . 0.0 111.088 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -123.82 147.26 47.74 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.414 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 15.8 m-70 -59.97 -29.18 68.26 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.669 0.271 . . . . 0.0 110.944 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -65.18 -27.56 68.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.416 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -65.2 -47.61 76.29 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.727 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 14.6 t -72.39 126.75 30.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.693 -177.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -17.22 64.37 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.948 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.727 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 19.7 mmm180 -81.59 -14.88 56.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.784 177.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.53 3.93 90.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.277 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 1.8 p -132.68 115.03 23.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.729 0.776 . . . . 0.0 110.771 -178.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -116.62 112.91 21.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.319 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -130.03 140.55 50.85 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.66 27.55 14.44 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.719 0.637 . . . . 0.0 110.536 -174.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 49.7 mt 62.62 28.31 16.57 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.137 -178.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -132.84 142.45 48.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.163 0.506 . . . . 0.0 110.945 175.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.5 t -72.91 119.77 17.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.053 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.551 -0.738 . . . . 0.0 111.241 -177.217 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.5 mt -89.59 131.36 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.345 174.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -69.33 152.27 45.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.541 0.686 . . . . 0.0 111.464 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 4.1 ttpm? -58.47 136.57 57.54 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.658 -1.156 . . . . 0.0 110.944 178.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.58 -5.02 73.51 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.839 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.9 mt -103.38 158.51 31.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.697 0.249 . . . . 0.0 110.515 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 39.6 Cg_exo -61.98 135.24 54.14 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.864 2.376 . . . . 0.0 112.922 178.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 p -139.75 165.64 26.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.264 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.3 mtt -117.38 -35.06 4.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.773 0.32 . . . . 0.0 110.555 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.72 159.07 27.36 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -60.88 -43.87 97.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 p -64.36 -15.56 60.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -62.15 -45.97 91.07 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.289 0.566 . . . . 0.0 111.142 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.3 t -88.07 151.49 22.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.527 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.8 m -60.23 -27.51 67.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.568 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.695 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 17.6 mmm180 -76.43 -18.28 58.9 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.047 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.9 4.97 68.48 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 121.038 -0.601 . . . . 0.0 113.321 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -131.62 115.98 29.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.474 0.654 . . . . 0.0 111.268 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.5 t -116.99 129.5 56.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.824 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -139.57 130.55 26.31 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.126 0.266 . . . . 0.0 110.46 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.57 33.88 23.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.052 0.453 . . . . 0.0 110.809 -177.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 48.4 mt 64.22 21.73 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.57 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -131.68 139.98 49.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.068 0.461 . . . . 0.0 110.195 174.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.695 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 42.6 t -79.13 131.28 36.17 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.193 -177.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.698 -0.667 . . . . 0.0 111.537 -177.473 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.234 0.271 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.5 mt -77.2 128.2 38.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.816 0.341 . . . . 0.0 110.084 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -77.37 164.53 25.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.836 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -56.32 135.71 53.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.716 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.39 -1.97 86.27 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.916 174.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.4 mt -101.89 148.64 35.61 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 32.4 Cg_exo -61.01 126.13 18.8 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.144 2.562 . . . . 0.0 113.233 -176.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.6 p -129.33 162.64 27.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.282 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.6 mtt -128.93 -6.41 5.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.998 0.428 . . . . 0.0 110.803 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -141.01 155.4 46.2 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.439 ' O ' ' HA2' ' A' ' 24' ' ' GLY . 20.5 m-70 -70.87 -37.62 73.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.283 -177.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.7 p -67.94 -36.06 79.48 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -174.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -68.4 -30.22 69.09 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.9 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.9 t -72.18 133.61 45.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.214 0.531 . . . . 0.0 109.97 173.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.1 m -55.15 -31.56 61.41 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.098 -0.955 . . . . 0.0 113.222 -175.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -96.43 3.6 52.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.993 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 18' ' ' HIS . . . 73.11 16.8 78.5 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.913 176.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.479 HG13 ' HB2' ' A' ' 32' ' ' GLN . 2.2 p -135.94 115.65 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.707 0.765 . . . . 0.0 111.221 -179.039 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.6 t -115.73 112.66 22.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.64 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -126.86 135.84 51.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.581 -178.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.0 26.25 13.26 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.764 0.665 . . . . 0.0 110.62 -175.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 49.2 mt 62.97 29.21 16.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.768 -176.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -131.78 134.15 45.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.824 0.345 . . . . 0.0 110.292 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.5 t -64.56 118.34 8.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.714 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.479 ' HB2' HG13 ' A' ' 25' ' ' VAL . 26.7 mm-40 . . . . . 0 C--O 1.244 0.777 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.591 -176.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.8 mt -79.54 128.08 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -88.58 166.44 14.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.914 -169.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 22.8 ttmm -49.71 131.1 21.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.122 -0.945 . . . . 0.0 112.464 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.25 -2.35 85.11 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.085 175.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 85.6 mt -103.94 149.25 37.0 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 116.794 0.297 . . . . 0.0 110.61 -179.042 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 21.7 Cg_exo -64.84 134.48 40.54 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.051 2.501 . . . . 0.0 113.291 -176.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 p -137.98 161.26 37.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.51 176.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -113.7 -25.67 8.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 110.764 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -127.73 153.39 46.58 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -63.83 -31.96 73.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.483 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 m -69.72 -28.69 66.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.633 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -59.88 -43.18 94.91 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.582 0.706 . . . . 0.0 109.52 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 6.5 t -70.41 127.37 32.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.305 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.25 -19.2 62.96 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.164 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.659 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 17.6 mmm180 -85.17 -12.21 53.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.943 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.13 4.88 90.43 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.312 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 p -134.23 115.43 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.625 0.726 . . . . 0.0 111.099 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.5 t -115.8 111.71 20.9 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -125.48 135.98 52.89 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.0 28.15 15.83 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.602 0.564 . . . . 0.0 110.397 -172.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 42.6 mt 61.88 29.33 17.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.66 -177.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -129.72 139.96 51.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.072 0.463 . . . . 0.0 110.521 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.5 t -71.38 123.36 22.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.85 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 19.9 mt-30 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.674 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.573 ' HB ' ' SG ' ' A' ' 31' ' ' CYS . 29.7 mt -78.47 131.87 33.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.209 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -76.0 160.8 29.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.183 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 25.2 ttpp -56.2 132.2 49.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.319 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.37 -1.65 60.56 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.476 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.0 mt -101.62 149.86 36.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 117.248 0.524 . . . . 0.0 110.664 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 25.3 Cg_exo -62.98 124.93 14.86 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.037 2.491 . . . . 0.0 112.93 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -130.46 164.7 24.21 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.498 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 83.5 mtp -134.87 2.61 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.804 0.335 . . . . 0.0 110.65 173.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.55 ' HB3' ' OD2' ' A' ' 20' ' ' ASP . 7.6 tp10 -146.92 144.78 29.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.485 ' HB3' ' O ' ' A' ' 24' ' ' GLY . 19.2 m-70 -71.41 -38.83 71.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.04 -171.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -66.49 -20.46 66.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -175.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.55 ' OD2' ' HB3' ' A' ' 17' ' ' GLU . 15.5 m-20 -70.2 -31.05 68.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.925 0.393 . . . . 0.0 110.772 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 m -85.56 143.09 28.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.903 -178.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -26.6 68.86 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -172.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -94.66 3.95 54.44 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.864 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.485 ' O ' ' HB3' ' A' ' 18' ' ' HIS . . . 70.59 19.32 76.34 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.681 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 p -130.26 116.9 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.716 0.77 . . . . 0.0 112.087 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.6 113.31 23.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.811 175.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -128.78 134.86 48.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.603 0.239 . . . . 0.0 110.753 -176.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.13 28.16 17.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.51 -175.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 53.4 mt 61.63 29.23 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.44 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -136.13 132.85 36.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.823 173.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.573 ' SG ' ' HB ' ' A' ' 9' ' ' ILE . 98.7 m -63.16 124.92 22.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.691 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.368 -178.179 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.5 p . . . . . 0 N--CA 1.449 -0.502 0 CA-C-O 121.21 0.529 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.2 mt -78.82 144.92 10.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.767 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -83.66 161.32 21.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.296 0.57 . . . . 0.0 111.741 -176.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 24.8 ttpp -57.66 131.86 51.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.727 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.84 -13.18 59.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.86 -0.685 . . . . 0.0 113.288 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -99.45 155.33 36.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.87 0.335 . . . . 0.0 110.915 -176.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.544 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 36.1 Cg_exo -59.46 140.67 95.24 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.193 2.596 . . . . 0.0 113.446 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 p -147.53 161.19 41.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.151 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.0 mtm -119.78 -13.43 9.1 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.228 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -146.38 154.23 41.4 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.483 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 22.6 m-70 -55.02 -47.82 74.21 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.4 m -64.0 -13.95 50.4 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -59.15 -43.84 92.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.681 0.277 . . . . 0.0 110.655 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.5 t -90.45 152.44 20.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.288 0.566 . . . . 0.0 111.664 -172.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.5 m -63.25 -17.82 62.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.19 176.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -89.92 -14.01 35.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.792 0.329 . . . . 0.0 111.206 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.5 18.52 75.53 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.164 -0.541 . . . . 0.0 113.151 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.54 HG13 ' HG2' ' A' ' 32' ' ' GLN . 1.6 p -140.17 116.92 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.293 0.568 . . . . 0.0 111.214 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.9 t -116.33 126.04 52.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.811 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -134.74 129.72 35.11 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.07 31.33 19.79 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.544 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 44.2 mt 62.38 26.56 15.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.475 -177.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -136.65 142.33 43.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 172.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.5 t -72.67 126.32 29.6 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.54 ' HG2' HG13 ' A' ' 25' ' ' VAL . 3.5 pt20 . . . . . 0 C--O 1.246 0.873 0 O-C-N 123.888 0.742 . . . . 0.0 112.288 -173.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.2 p . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.4 mt -92.86 130.09 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.222 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -68.26 152.46 45.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.485 -174.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -56.88 129.73 42.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.526 -1.216 . . . . 0.0 110.526 176.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.24 -12.4 57.14 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.783 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.7 mt -102.32 152.46 38.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 122.586 -0.361 . . . . 0.0 110.934 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 23.6 Cg_exo -63.65 138.86 66.57 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.099 2.533 . . . . 0.0 113.01 -178.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 20' ' ' ASP . 14.0 p -153.53 134.34 13.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.294 176.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 79.9 mtp -100.96 7.34 43.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.838 0.351 . . . . 0.0 111.185 -174.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -152.35 136.1 16.23 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.504 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 7.1 m-70 -53.88 -33.83 57.63 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.643 -174.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -74.04 -15.52 61.07 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -176.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.437 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -68.97 -47.17 66.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.092 0.473 . . . . 0.0 110.049 175.794 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 11.3 t -65.54 133.67 51.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.911 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.3 m -55.43 -27.11 45.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.084 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -86.74 -7.75 57.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.311 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.81 7.03 88.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.562 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.504 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 0.4 OUTLIER -138.73 116.77 12.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.49 0.662 . . . . 0.0 111.376 -177.241 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 67.1 m -110.29 121.49 45.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.823 177.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -120.27 131.18 54.81 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.23 33.29 23.0 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.53 0.519 . . . . 0.0 110.789 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 66.5 mt 62.54 31.66 16.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.46 -177.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -135.0 143.5 46.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.429 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.49 111.56 4.77 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.502 ' HG2' HG13 ' A' ' 25' ' ' VAL . 2.6 pt20 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.958 -1.02 . . . . 0.0 112.495 -169.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.806 -0.518 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.44 ' HA ' ' HB3' ' A' ' 8' ' ' CYS . 10.8 mp -76.44 130.56 38.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.497 0.189 . . . . 0.0 110.619 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 mt 58.91 64.69 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.74 0.781 . . . . 0.0 110.551 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -110.57 -26.62 9.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.425 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 t -160.0 82.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.5 mt 60.21 77.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 -171.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 61.07 -165.68 0.22 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.244 -169.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 2' ' ' LEU . 26.7 p -90.62 153.91 19.97 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 169.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -84.78 120.04 34.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -74.79 161.93 29.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.608 -171.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 36.3 ttpt -49.3 128.79 17.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.931 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.96 -8.19 65.2 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.024 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.2 mt -101.81 151.09 37.88 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 117.056 0.428 . . . . 0.0 110.482 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.567 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 16.1 Cg_exo -67.05 136.89 42.55 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.946 2.43 . . . . 0.0 112.762 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 p -140.75 158.51 43.86 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.649 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -126.19 25.04 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.364 0.602 . . . . 0.0 109.814 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.582 ' HG3' ' H ' ' A' ' 19' ' ' SER . 9.2 tp10 -170.98 141.82 1.76 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.908 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -63.94 -29.55 70.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.542 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.582 ' H ' ' HG3' ' A' ' 17' ' ' GLU . 6.3 t -72.8 -17.91 61.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.439 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -71.42 -47.28 56.97 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.244 0.545 . . . . 0.0 110.306 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 t -67.58 137.06 55.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.742 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.3 m -54.55 -36.5 64.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.644 -1.162 . . . . 0.0 113.272 -173.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -104.66 18.94 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.858 -0.737 . . . . 0.0 112.261 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.6 15.67 81.08 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.02 -0.61 . . . . 0.0 114.445 167.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 p -131.03 113.29 23.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.812 0.815 . . . . 0.0 111.645 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.1 t -117.75 111.69 19.44 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.169 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -128.41 138.58 52.4 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.64 26.77 16.37 Favored 'General case' 0 CA--C 1.521 -0.153 0 O-C-N 123.768 0.667 . . . . 0.0 110.307 -174.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 58.1 mt 61.27 31.63 19.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.428 -176.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -137.14 139.23 41.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.983 0.42 . . . . 0.0 110.377 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.6 t -68.51 116.25 8.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.518 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.422 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 61.5 mt-30 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.364 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 19' ' ' SER . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.471 -0.651 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt -83.44 -178.64 7.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.776 0.288 . . . . 0.0 110.862 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 55.9 mt 64.83 68.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.885 0.85 . . . . 0.0 110.431 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.539 ' H ' ' HA ' ' A' ' 20' ' ' ASP . 69.1 mm-40 -115.95 26.0 10.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.425 175.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t -154.74 161.91 41.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.838 -1.074 . . . . 0.0 108.342 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 6' ' ' ILE . 2.6 mp -55.16 103.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.321 0 O-C-N 123.668 0.605 . . . . 0.0 110.551 -178.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.406 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . 60.27 29.04 18.67 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.617 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 7' ' ' ALA . 30.3 p 53.58 149.12 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.175 1.39 . . . . 0.0 113.009 -177.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.63 141.52 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.465 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.431 ' HB2' HD23 ' A' ' 13' ' ' LEU . 83.7 mm-40 -89.34 166.67 13.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.397 -174.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HG3' ' OXT' ' A' ' 32' ' ' GLN . 25.0 ttpp -57.63 130.96 48.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.119 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.07 -2.85 76.14 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.32 175.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.431 HD23 ' HB2' ' A' ' 10' ' ' GLN . 3.2 mm? -101.45 155.87 35.85 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.951 0.375 . . . . 0.0 110.381 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.608 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 35.6 Cg_exo -62.47 130.37 29.82 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.152 2.568 . . . . 0.0 112.976 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 29' ' ' LEU . 23.2 p -146.25 137.2 24.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.471 176.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.2 mtt -105.34 5.2 31.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.114 0.483 . . . . 0.0 110.821 -174.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . 36.6 tt0 -158.05 142.36 16.0 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.581 ' O ' ' HA2' ' A' ' 24' ' ' GLY . 13.1 m-70 -61.26 -27.23 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.623 -175.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' A' ' 1' ' ' GLY . 4.2 m -68.73 -38.54 80.28 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -172.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.539 ' HA ' ' H ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -75.91 -16.06 60.09 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -172.787 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -88.03 146.51 25.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.131 0.491 . . . . 0.0 110.727 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.5 m -61.89 -30.33 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.191 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -91.54 -8.37 47.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.586 -175.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.581 ' HA2' ' O ' ' A' ' 18' ' ' HIS . . . 65.19 20.6 67.36 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 114.476 0.55 . . . . 0.0 114.476 173.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.515 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 2.9 p -139.07 113.63 7.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 117.799 0.8 . . . . 0.0 111.302 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.1 m -118.25 127.5 53.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.041 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -136.19 133.06 36.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.55 32.02 21.68 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.571 0.544 . . . . 0.0 110.947 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.608 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 52.4 mt 63.19 27.21 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.471 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -132.51 140.19 48.23 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 171.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.4 t -77.75 126.12 30.38 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.314 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.432 ' OXT' ' HG3' ' A' ' 11' ' ' LYS . 20.3 mt-30 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.878 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.596 ' O ' ' HA ' ' A' ' 19' ' ' SER . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 pp -153.94 158.22 40.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.564 0.182 . . . . 0.0 110.825 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 79.4 mt 62.46 79.07 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 123.431 0.457 . . . . 0.0 110.855 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -141.31 -2.0 1.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -138.52 78.2 1.67 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.793 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.2 mt 58.51 75.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 62.95 -156.61 0.33 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.958 -169.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.1 p -103.79 156.85 17.5 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.316 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.1 mt -89.71 130.66 38.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.371 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HG2' HD12 ' A' ' 13' ' ' LEU . 4.1 pt20 -78.89 163.13 25.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.257 0.551 . . . . 0.0 111.911 -173.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HG3' ' OXT' ' A' ' 32' ' ' GLN . 45.4 tttm -51.09 131.56 27.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.033 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.62 -6.18 67.54 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.976 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.437 HD12 ' HG2' ' A' ' 10' ' ' GLN . 56.1 mt -104.47 150.85 38.95 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.848 0.324 . . . . 0.0 110.646 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.534 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 33.9 Cg_exo -62.37 142.83 92.37 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.109 2.539 . . . . 0.0 113.383 -178.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.1 p -138.95 155.3 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.517 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.8 mtt -116.98 -13.83 10.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.27 0.557 . . . . 0.0 110.305 178.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -136.28 146.93 47.22 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -55.72 -39.38 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.543 0.211 . . . . 0.0 111.14 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.596 ' HA ' ' O ' ' A' ' 1' ' ' GLY . 20.3 m -64.46 -15.47 60.76 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -67.45 -47.26 70.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.125 0.488 . . . . 0.0 109.969 176.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 t -69.78 140.35 53.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.36 -174.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.8 m -58.73 -32.2 68.99 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.686 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.418 HH21 ' C ' ' A' ' 32' ' ' GLN . 48.7 mtm180 -94.12 1.53 56.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.353 178.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.06 6.08 81.92 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.711 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.87 115.35 49.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.136 0.494 . . . . 0.0 110.82 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.5 t -115.21 112.97 23.29 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -127.41 131.69 50.24 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.49 25.96 15.58 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.851 0.719 . . . . 0.0 110.208 -174.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 46.7 mt 60.53 34.73 20.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.962 -174.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -133.78 138.65 45.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.104 172.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.8 t -68.39 125.17 25.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.469 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.442 ' OXT' ' HG3' ' A' ' 11' ' ' LYS . 40.7 mt-30 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.432 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.552 ' H ' ' CD1' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -89.2 136.69 32.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.935 0.398 . . . . 0.0 110.182 179.189 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.401 ' HB ' ' H ' ' A' ' 4' ' ' GLU . 15.4 mm -119.11 -93.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 38.3 mm-40 -97.51 0.46 47.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.619 0.723 . . . . 0.0 109.26 175.264 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -155.08 155.44 34.07 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.885 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.44 ' H ' HD12 ' A' ' 6' ' ' ILE . 3.2 mp -63.72 118.4 5.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 58.95 26.53 15.11 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.688 0.617 . . . . 0.0 110.967 -175.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p 50.4 -174.6 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.574 1.172 . . . . 0.0 112.648 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.2 mt -99.56 142.63 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.416 173.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -88.93 168.09 12.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.045 0.45 . . . . 0.0 111.784 -176.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HD3' HH22 ' A' ' 23' ' ' ARG . 23.1 ttpp -51.09 141.08 14.79 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.243 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.47 -3.75 76.55 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.974 -0.631 . . . . 0.0 113.308 171.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.6 mt -101.12 152.48 37.91 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.587 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 31.0 Cg_exo -62.1 131.51 34.97 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.023 2.482 . . . . 0.0 113.171 -177.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 p -138.65 161.69 36.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.999 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.9 mtt -120.83 -21.38 6.63 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.997 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -130.44 149.72 51.98 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.442 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 8.7 m-70 -54.48 -41.94 70.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.66 0.266 . . . . 0.0 111.482 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.1 m -66.16 -14.02 61.15 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.42 ' HA ' ' HB2' ' A' ' 4' ' ' GLU . 73.1 m-20 -59.03 -36.95 75.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.157 0.503 . . . . 0.0 110.284 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.7 t -100.81 145.63 28.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.737 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 58.8 m -58.24 -28.07 64.54 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.083 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.426 HH22 ' HD3' ' A' ' 11' ' ' LYS . 51.1 mtm-85 -80.84 -6.46 58.62 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.545 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 18' ' ' HIS . . . 67.06 23.91 73.05 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.106 176.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.442 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 3.1 p -135.29 114.28 16.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.665 0.745 . . . . 0.0 111.164 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.0 t -118.42 117.38 28.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.453 177.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -126.62 132.73 51.19 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.66 28.25 17.96 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 123.581 0.55 . . . . 0.0 110.927 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.587 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 51.0 mt 62.41 31.42 17.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.166 -177.409 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -138.02 140.77 40.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.344 172.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.5 t -71.37 133.09 45.71 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.948 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 . . . . . 0 C--O 1.249 1.065 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.736 177.491 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' C ' HD12 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.74 -0.544 . . . . 0.0 111.74 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.408 HD12 ' C ' ' A' ' 1' ' ' GLY . 6.4 mp -131.7 167.71 19.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.1 mm 60.92 86.76 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 O-C-N 123.788 0.68 . . . . 0.0 111.457 174.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.64 -60.94 1.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.205 0.526 . . . . 0.0 110.185 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -101.34 57.56 0.85 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.784 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.1 mt 66.11 99.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.823 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 64.71 178.21 0.18 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.078 -173.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.3 p -100.26 150.21 22.79 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.433 176.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.8 mt -85.7 144.0 10.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.252 -174.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -76.67 159.27 30.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.441 -175.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -64.09 129.32 39.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.328 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.51 -8.15 66.32 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.151 -0.547 . . . . 0.0 113.377 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.29 156.82 35.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.873 0.337 . . . . 0.0 110.854 -176.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 37.0 Cg_exo -61.18 133.21 45.48 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.203 2.602 . . . . 0.0 113.468 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -136.74 172.29 13.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.249 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 64.3 mtt -133.45 -31.5 1.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.416 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -123.04 151.89 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 177.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -59.92 -27.9 67.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.619 0.247 . . . . 0.0 111.385 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -71.31 -17.02 62.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.623 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -66.33 -47.48 73.35 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.269 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.5 m -79.62 138.35 37.39 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.476 -173.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.4 m -56.06 -35.52 67.04 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.699 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 23' ' ' ARG . 12.8 ptm180 -88.36 10.62 19.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.581 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.83 4.76 49.05 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 114.714 0.645 . . . . 0.0 114.714 171.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.427 ' HB ' ' HG2' ' A' ' 32' ' ' GLN . 61.3 t -124.02 120.01 58.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 117.774 0.787 . . . . 0.0 111.863 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.0 t -115.24 125.26 53.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -132.75 127.68 35.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.714 -0.106 . . . . 0.0 110.714 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.17 33.04 22.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.142 0.496 . . . . 0.0 111.0 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 49.0 mt 63.3 27.05 15.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.341 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -137.93 134.54 35.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.081 173.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.4 m -66.03 117.06 7.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.048 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 2.5 pt20 . . . . . 0 C--O 1.244 0.802 0 O-C-N 123.962 0.789 . . . . 0.0 112.482 -174.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 19' ' ' SER . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.489 ' HA ' ' O ' ' A' ' 19' ' ' SER . 1.9 pt? -159.21 173.95 15.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.737 0.269 . . . . 0.0 110.99 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 57.2 mt 67.54 63.11 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.908 0.861 . . . . 0.0 110.314 178.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -125.82 19.86 7.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.802 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 t -165.56 80.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.988 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.5 mt 51.08 81.26 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.716 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 54.42 31.67 15.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.591 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 65.05 158.13 0.1 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.644 -178.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.6 mt -90.32 145.73 7.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.716 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -77.09 157.08 31.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.365 0.602 . . . . 0.0 111.003 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 39.3 ttpt -63.22 134.31 55.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.028 -178.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.29 -3.55 72.68 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.04 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.8 mt -104.3 156.56 35.62 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.878 0.339 . . . . 0.0 110.836 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.514 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 32.4 Cg_exo -59.56 135.84 67.19 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.165 2.577 . . . . 0.0 113.272 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.3 p -147.28 169.48 19.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.137 -0.938 . . . . 0.0 108.81 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.8 ttp -122.4 -26.11 4.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.379 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -125.83 152.43 45.49 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -58.01 -43.26 86.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.701 0.286 . . . . 0.0 111.225 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' A' ' 2' ' ' LEU . 14.8 p -68.36 -14.51 63.05 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -176.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -59.47 -35.41 74.03 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 110.7 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.4 t -102.54 146.35 28.27 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.38 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 2' ' ' LEU . 32.6 m -62.16 -19.78 63.43 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 176.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.547 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 20.7 mmm180 -71.9 -18.02 62.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.183 176.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.89 7.0 69.06 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.381 -0.438 . . . . 0.0 112.826 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 p -136.15 114.89 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.545 0.688 . . . . 0.0 111.47 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.7 t -118.0 118.18 31.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.51 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -133.84 138.02 45.39 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.83 28.22 17.66 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.512 0.508 . . . . 0.0 110.821 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.514 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 55.8 mt 65.03 22.41 12.39 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.83 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -133.87 137.11 44.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.948 0.404 . . . . 0.0 110.106 174.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 36.4 t -70.92 128.41 35.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.332 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.045 -176.927 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.908 -0.477 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.419 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 85.2 mt -112.66 178.72 4.19 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.419 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 71.7 mt 74.9 112.22 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 O-C-N 123.676 0.61 . . . . 0.0 111.076 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.19 -29.14 15.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.474 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 t -168.89 91.29 0.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.824 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.9 mt 61.71 97.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.07 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 68.12 140.36 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.337 -175.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 p -76.14 159.86 30.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.073 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.7 mt -77.46 128.24 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.106 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -72.11 157.55 37.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.54 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -53.88 130.15 36.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.021 177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.77 -6.2 69.97 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.944 -0.646 . . . . 0.0 113.073 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.9 mt -101.02 152.28 37.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.787 0.294 . . . . 0.0 110.675 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 25.4 Cg_exo -63.45 132.9 37.62 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.164 2.576 . . . . 0.0 113.142 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.3 p -141.63 168.56 19.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.19 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -122.84 -28.67 4.09 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.563 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.24 159.23 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.251 -0.28 . . . . 0.0 110.389 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -52.45 -49.68 64.15 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.919 0.39 . . . . 0.0 111.065 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.9 p -60.73 -23.37 64.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.637 -175.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -62.75 -47.79 81.99 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.446 0.641 . . . . 0.0 110.151 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 6.2 t -79.7 136.18 36.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.219 -172.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.8 m -56.73 -26.31 56.73 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.112 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.567 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 19.1 mmm180 -78.43 -17.06 56.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.53 5.0 85.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.755 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.475 HG13 ' HG2' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -140.91 121.31 13.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.153 0.501 . . . . 0.0 110.494 -178.702 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.4 t -112.29 112.6 24.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.796 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -120.21 131.72 55.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.383 -175.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.63 29.79 19.26 Favored 'General case' 0 CA--C 1.52 -0.175 0 O-C-N 123.641 0.588 . . . . 0.0 110.606 -176.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 51.0 mt 61.34 28.22 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.444 -177.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -132.65 139.22 47.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.151 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.6 t -67.59 116.59 8.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HG2' HG13 ' A' ' 25' ' ' VAL . 2.3 pt20 . . . . . 0 C--O 1.252 1.228 0 CA-C-O 117.99 -1.005 . . . . 0.0 112.03 -171.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.456 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 21.4 tp -160.56 168.11 25.7 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.456 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 34.1 mm 74.61 103.52 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 121.28 0.562 . . . . 0.0 111.558 176.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -128.48 21.17 6.1 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 t -172.97 162.86 4.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.543 -1.208 . . . . 0.0 107.99 -176.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.4 mt -63.2 115.73 2.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 60.46 40.81 16.73 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.551 -174.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p 53.19 -179.74 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.835 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -91.78 134.62 29.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 -74.32 153.97 39.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.339 0.59 . . . . 0.0 111.799 -175.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -63.29 133.15 53.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.813 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.76 -7.79 63.31 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.245 -177.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.7 mt -102.46 157.74 33.12 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.574 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 25.4 Cg_exo -63.81 133.87 41.03 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.966 2.444 . . . . 0.0 113.109 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.6 p -149.13 139.64 22.51 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.194 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 81.5 mtp -98.71 -11.38 22.01 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.62 -173.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.44 149.08 40.53 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.494 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 28.9 m-70 -51.68 -45.43 63.46 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 122.677 0.391 . . . . 0.0 111.579 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 2' ' ' LEU . 77.6 p -65.08 -15.38 62.3 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -174.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -65.22 -33.74 76.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.173 0.511 . . . . 0.0 110.653 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -105.89 143.86 33.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.211 -176.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.38 -22.42 64.96 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.34 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.683 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 16.2 mmm180 -71.75 -17.48 62.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.148 176.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.6 9.65 59.09 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 113.431 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.494 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 2.7 p -137.73 114.38 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 121.695 0.76 . . . . 0.0 111.252 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.3 m -118.1 123.11 44.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.394 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -131.0 138.9 49.89 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.61 28.35 18.04 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 123.74 0.65 . . . . 0.0 110.584 -176.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 52.1 mt 63.54 28.34 15.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.234 -177.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -133.45 140.05 47.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.11 173.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 40.4 t -75.6 128.9 36.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.244 0.793 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.501 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.17 -0.372 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.5 mt -112.0 175.96 5.22 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 64.7 mt 67.61 81.31 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.451 0.643 . . . . 0.0 110.192 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -95.74 5.41 51.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.52 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -147.19 163.97 34.66 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.3 mp -57.49 110.48 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 O-C-N 123.348 0.405 . . . . 0.0 110.44 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 61.53 25.33 15.27 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.46 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 64.35 178.23 0.18 Allowed 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.328 176.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.438 ' HB ' ' SG ' ' A' ' 31' ' ' CYS . 11.3 mt -92.05 130.92 40.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.23 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -74.03 161.59 29.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.631 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -57.15 127.34 31.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.665 -178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.17 -2.02 63.19 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.442 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -101.68 151.3 37.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 117.241 0.52 . . . . 0.0 110.28 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.591 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 16.4 Cg_exo -67.43 143.43 63.4 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.018 2.479 . . . . 0.0 113.101 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 p -127.47 175.58 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.113 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.8 mtt -130.39 -4.98 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.841 0.353 . . . . 0.0 110.511 171.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -152.09 151.07 30.62 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -60.51 -36.14 77.65 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.763 0.316 . . . . 0.0 111.536 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 p -65.31 -14.93 61.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.434 ' HB3' HD12 ' A' ' 9' ' ' ILE . 48.1 m-20 -59.95 -43.28 95.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.965 0.412 . . . . 0.0 110.842 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 m -83.35 146.25 28.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.641 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.4 m -55.65 -40.84 72.76 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.422 HH21 ' NE2' ' A' ' 32' ' ' GLN . 15.4 mtm180 -83.14 -0.22 48.24 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.614 -177.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.3 4.74 69.81 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.022 -0.608 . . . . 0.0 113.099 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.471 HG13 ' HG2' ' A' ' 32' ' ' GLN . 2.0 p -117.73 115.5 48.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.597 0.713 . . . . 0.0 111.144 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.5 t -117.26 140.67 49.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.763 174.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -129.84 124.28 32.91 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.666 -177.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.97 38.76 24.18 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.0 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.591 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 54.4 mt 57.85 30.19 18.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.63 -177.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -134.55 130.24 36.26 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 171.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.438 ' SG ' ' HB ' ' A' ' 9' ' ' ILE . 90.9 m -61.9 121.54 13.2 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 178.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.471 ' HG2' HG13 ' A' ' 25' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.121 -0.942 . . . . 0.0 111.595 -176.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.026 -0.43 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.0 mp 67.74 176.46 0.25 Allowed 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.236 0.614 . . . . 0.0 111.489 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp 58.91 76.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.972 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -153.99 -52.1 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.38 -176.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -149.92 116.12 5.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.29 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.5 mt 55.83 51.53 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 121.311 0.577 . . . . 0.0 109.594 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 70.22 -44.45 0.57 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.373 -174.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.0 p 176.47 160.76 0.35 Allowed 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.985 0.914 . . . . 0.0 109.026 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 21' ' ' CYS . 22.3 mt -86.29 117.24 30.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -83.17 165.67 19.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.229 0.538 . . . . 0.0 112.333 -169.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 39.3 ttmt -47.94 128.31 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.687 -1.142 . . . . 0.0 113.033 -176.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.8 -13.72 62.15 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.999 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -98.01 151.48 37.57 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.839 0.319 . . . . 0.0 110.67 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.579 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 23.5 Cg_exo -63.91 136.44 52.91 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.986 2.457 . . . . 0.0 112.975 -178.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -150.83 131.41 13.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.715 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 60.2 mtm -95.3 -10.55 29.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.978 0.418 . . . . 0.0 110.776 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HG3' ' H ' ' A' ' 19' ' ' SER . 8.8 tp10 -134.77 140.21 45.74 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -63.59 -27.55 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.21 -174.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.498 ' H ' ' HG3' ' A' ' 17' ' ' GLU . 16.0 m -63.44 -38.06 89.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.566 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' OD1' ' HB3' ' A' ' 17' ' ' GLU . 4.4 m-20 -60.87 -45.55 94.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.105 0.479 . . . . 0.0 110.963 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 5.9 t -62.47 129.79 42.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.731 -176.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 64.0 m -56.67 -30.86 63.85 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.916 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.71 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 18.9 mmm180 -80.4 -16.81 53.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.96 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.17 4.96 89.86 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.437 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 p -133.9 116.81 24.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.497 0.665 . . . . 0.0 111.221 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 84.9 m -113.76 112.76 23.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.035 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -123.53 132.36 53.88 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.5 30.58 19.87 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.675 0.609 . . . . 0.0 110.451 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.579 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 70.1 mt 64.16 28.45 14.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.639 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -131.36 141.63 49.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.908 0.385 . . . . 0.0 110.818 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.6 t -69.38 116.16 9.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.53 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 25.2 mm-40 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.785 -172.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.903 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -130.39 30.16 4.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.156 0.503 . . . . 0.0 110.584 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.742 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 12.9 pt -128.83 170.99 17.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.414 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -100.47 15.75 26.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.805 -173.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.3 p -147.92 131.97 17.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.429 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.1 mt 67.53 -79.23 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 O-C-N 123.597 0.561 . . . . 0.0 110.667 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.3 60.79 5.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.414 0.626 . . . . 0.0 110.254 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.742 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 5.3 p -64.99 170.26 4.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.931 -1.032 . . . . 0.0 111.204 -178.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.3 mt -86.89 119.77 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -77.38 163.82 26.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.583 0.706 . . . . 0.0 112.171 -170.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 23.4 ttpp -48.31 127.85 13.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.238 -1.347 . . . . 0.0 111.552 175.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.56 -2.15 57.27 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.202 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 73.6 mt -116.8 154.47 49.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 117.046 0.423 . . . . 0.0 111.041 -179.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 15.8 Cg_exo -66.7 137.03 44.34 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.104 2.536 . . . . 0.0 113.353 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 20' ' ' ASP . 10.9 p -146.29 132.71 19.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.43 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 77.1 mtp -92.35 -23.92 19.08 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.565 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -123.58 140.89 52.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -53.46 -30.44 40.81 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.709 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.8 m -62.68 -30.47 71.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.431 0.457 . . . . 0.0 111.831 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 49.3 m-20 -67.65 -39.47 84.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -176.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.5 t -66.45 133.16 49.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.842 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.8 m -55.51 -28.98 57.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.603 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.5 HH21 ' C ' ' A' ' 32' ' ' GLN . 41.5 mtm180 -95.79 0.08 51.86 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.631 -0.427 . . . . 0.0 111.271 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.51 10.78 85.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.257 -0.497 . . . . 0.0 113.262 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.648 HG13 ' HG2' ' A' ' 32' ' ' GLN . 1.3 p -132.18 116.67 30.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.627 0.727 . . . . 0.0 111.619 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.7 m -114.9 122.3 45.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.054 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -126.5 132.02 51.49 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.66 26.93 16.65 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.319 0.58 . . . . 0.0 110.184 -172.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 52.0 mt 64.2 31.35 13.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.396 -177.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -129.46 140.32 51.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.256 173.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.13 112.26 5.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.648 ' HG2' HG13 ' A' ' 25' ' ' VAL . 2.3 pt20 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.31 -0.852 . . . . 0.0 111.188 -172.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 112.18 -0.368 . . . . 0.0 112.18 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.412 HD22 HG12 ' A' ' 9' ' ' ILE . 96.2 mt -137.32 59.33 1.68 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 0.0 109.982 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.8 pt -125.89 145.59 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.284 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' HG3' ' HA ' ' A' ' 22' ' ' CYS . 31.2 tt0 -53.89 94.87 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.314 0.646 . . . . 0.0 110.899 177.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 p -168.42 -84.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.62 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.4 mt -128.16 -50.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.26 72.39 8.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.048 175.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 p -106.8 -177.31 3.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.883 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.412 HG12 HD22 ' A' ' 2' ' ' LEU . 16.6 mt -95.21 135.29 29.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 172.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -87.04 165.96 15.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.962 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -52.35 133.16 34.88 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.083 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.25 76.81 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.662 -0.699 . . . . 0.0 113.242 173.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.6 mt -99.93 152.29 37.77 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.749 0.275 . . . . 0.0 110.825 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.599 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 19.6 Cg_exo -65.65 138.1 52.69 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.07 2.513 . . . . 0.0 113.087 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 p -124.28 176.52 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.389 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -122.12 -9.15 8.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.803 0.335 . . . . 0.0 110.197 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -162.01 156.41 22.18 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.951 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -58.73 -38.32 78.1 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.927 0.394 . . . . 0.0 111.337 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -64.41 -13.13 49.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.915 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -72.24 -32.07 66.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.341 0.591 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 m -95.13 137.87 33.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.657 -173.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.435 ' HA ' ' HG3' ' A' ' 4' ' ' GLU . 12.3 m -58.02 -32.34 67.85 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.895 0.379 . . . . 0.0 111.747 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -77.9 -5.17 50.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.157 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.48 4.05 43.2 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 116.248 -0.433 . . . . 0.0 114.04 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -128.86 115.2 35.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.834 0.826 . . . . 0.0 111.193 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.8 t -118.68 130.09 55.64 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.341 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.404 ' OE2' ' HG3' ' A' ' 32' ' ' GLN . 42.9 mt-10 -127.67 128.14 44.94 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.95 35.98 18.9 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.663 0.602 . . . . 0.0 110.841 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.599 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 58.7 mt 59.12 30.03 19.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.475 -177.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -128.79 128.74 44.56 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 171.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.0 m -63.45 123.41 18.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.327 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.404 ' HG3' ' OE2' ' A' ' 27' ' ' GLU . 29.4 mm-40 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.616 -0.707 . . . . 0.0 109.923 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.59 ' HG ' ' H ' ' A' ' 7' ' ' ALA . 6.9 mp 57.76 52.69 7.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.881 178.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 mt -65.88 -73.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -93.7 -62.1 1.42 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 p -103.95 170.22 8.05 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.962 176.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' H ' HD12 ' A' ' 6' ' ' ILE . 3.3 mp -64.25 120.76 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.59 ' H ' ' HG ' ' A' ' 2' ' ' LEU . . . 65.74 25.26 11.44 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 123.766 0.666 . . . . 0.0 111.358 -178.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.3 p 57.85 176.52 0.05 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.346 1.058 . . . . 0.0 112.176 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.7 mt -89.22 140.25 16.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.751 174.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -82.2 163.09 22.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.381 0.61 . . . . 0.0 111.962 -176.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -61.08 135.42 57.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.195 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.9 -2.35 87.77 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.963 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 mt -100.97 153.69 37.58 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 122.634 -0.333 . . . . 0.0 110.325 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.586 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 31.2 Cg_exo -59.95 135.41 62.86 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.121 2.548 . . . . 0.0 113.212 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.1 p -140.99 159.06 43.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.57 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -115.76 -26.95 7.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.789 0.328 . . . . 0.0 110.521 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . 9.0 tp10 -124.95 154.61 40.91 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -59.19 -44.32 92.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.846 0.355 . . . . 0.0 111.076 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -65.14 -14.71 61.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.447 -176.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.44 ' OD1' ' HB3' ' A' ' 17' ' ' GLU . 39.1 m-20 -59.14 -35.34 73.33 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.27 0.557 . . . . 0.0 110.639 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.1 t -105.27 144.54 31.91 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.199 -175.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.2 m -58.48 -21.35 51.37 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.533 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.405 ' HD3' ' SG ' ' A' ' 31' ' ' CYS . 74.3 mtp85 -84.44 -10.74 57.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.61 14.99 63.47 Favored Glycine 0 C--N 1.332 0.337 0 CA-C-N 116.048 -0.523 . . . . 0.0 114.115 174.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 p -134.35 115.66 20.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.605 0.717 . . . . 0.0 111.437 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.0 t -117.68 120.26 37.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.799 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -136.26 136.42 39.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.6 26.42 16.12 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.528 -174.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 56.7 mt 61.6 28.21 17.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.503 -177.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -133.33 139.78 47.05 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 172.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.405 ' SG ' ' HD3' ' A' ' 23' ' ' ARG . 42.9 t -67.54 119.75 12.84 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.13 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.856 178.956 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.859 0 N-CA-C 112.072 -0.411 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.441 ' H ' ' HG ' ' A' ' 2' ' ' LEU . 1.3 pp -84.29 176.26 8.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.471 0.177 . . . . 0.0 111.43 -177.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 76.1 mt 71.91 80.37 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 O-C-N 123.705 0.628 . . . . 0.0 109.662 -174.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -125.19 -12.88 6.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.542 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 m -132.77 70.87 1.46 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.781 -177.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.7 mt 58.08 83.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.289 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 65.84 178.3 0.21 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.388 -175.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.4 p -92.24 141.27 28.75 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.088 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.4 mt -82.76 140.33 16.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.525 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -87.42 166.7 14.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.118 0.485 . . . . 0.0 111.645 -173.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -54.38 132.96 45.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.795 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.67 -12.8 65.94 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.958 -0.639 . . . . 0.0 113.167 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -99.86 151.27 37.43 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 117.009 0.405 . . . . 0.0 110.389 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 27.4 Cg_exo -62.83 137.13 61.27 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.236 2.624 . . . . 0.0 113.659 -176.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.4 p -140.08 161.49 37.49 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.242 175.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.2 mtt -125.2 -23.26 4.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.781 0.324 . . . . 0.0 111.088 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -123.82 147.26 47.74 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.414 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 15.8 m-70 -59.97 -29.18 68.26 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.669 0.271 . . . . 0.0 110.944 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -65.18 -27.56 68.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.416 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -65.2 -47.61 76.29 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.727 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 14.6 t -72.39 126.75 30.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.693 -177.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -17.22 64.37 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.948 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.727 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 19.7 mmm180 -81.59 -14.88 56.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.784 177.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.53 3.93 90.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.277 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 1.8 p -132.68 115.03 23.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.729 0.776 . . . . 0.0 110.771 -178.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -116.62 112.91 21.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.319 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -130.03 140.55 50.85 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.66 27.55 14.44 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.719 0.637 . . . . 0.0 110.536 -174.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 49.7 mt 62.62 28.31 16.57 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.137 -178.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -132.84 142.45 48.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.163 0.506 . . . . 0.0 110.945 175.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.5 t -72.91 119.77 17.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.053 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.551 -0.738 . . . . 0.0 111.241 -177.217 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 112.147 -0.381 . . . . 0.0 112.147 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.422 ' C ' ' HB3' ' A' ' 8' ' ' CYS . 9.9 mp 51.83 50.71 18.07 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 122.635 0.374 . . . . 0.0 111.449 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -162.24 137.44 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.203 0.525 . . . . 0.0 111.446 -178.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.41 -67.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 174.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -96.8 -167.86 1.62 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.843 171.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.7 mp -62.15 117.66 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 177.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.25 58.29 3.98 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.663 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' HB3' ' C ' ' A' ' 2' ' ' LEU . 8.2 p 49.17 170.33 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.728 1.211 . . . . 0.0 113.733 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.5 mt -89.59 131.36 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.345 174.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -69.33 152.27 45.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.541 0.686 . . . . 0.0 111.464 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 4.1 ttpm? -58.47 136.57 57.54 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.658 -1.156 . . . . 0.0 110.944 178.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.58 -5.02 73.51 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.839 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.9 mt -103.38 158.51 31.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.697 0.249 . . . . 0.0 110.515 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 39.6 Cg_exo -61.98 135.24 54.14 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.864 2.376 . . . . 0.0 112.922 178.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 p -139.75 165.64 26.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.264 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.3 mtt -117.38 -35.06 4.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.773 0.32 . . . . 0.0 110.555 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.72 159.07 27.36 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -60.88 -43.87 97.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 p -64.36 -15.56 60.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -177.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -62.15 -45.97 91.07 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.289 0.566 . . . . 0.0 111.142 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.3 t -88.07 151.49 22.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.527 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.415 ' HA ' ' HG ' ' A' ' 2' ' ' LEU . 20.8 m -60.23 -27.51 67.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.568 175.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.695 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 17.6 mmm180 -76.43 -18.28 58.9 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.047 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.9 4.97 68.48 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 121.038 -0.601 . . . . 0.0 113.321 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -131.62 115.98 29.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.474 0.654 . . . . 0.0 111.268 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.5 t -116.99 129.5 56.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.824 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -139.57 130.55 26.31 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.126 0.266 . . . . 0.0 110.46 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.57 33.88 23.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.052 0.453 . . . . 0.0 110.809 -177.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 48.4 mt 64.22 21.73 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.57 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -131.68 139.98 49.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.068 0.461 . . . . 0.0 110.195 174.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.695 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 42.6 t -79.13 131.28 36.17 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.193 -177.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.698 -0.667 . . . . 0.0 111.537 -177.473 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.0 tp -131.1 -62.76 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.685 0.243 . . . . 0.0 110.447 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.417 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 8.4 tp -178.84 -23.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.102 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 3' ' ' ILE . 12.5 pt-20 51.49 20.35 1.0 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.52 1.128 . . . . 0.0 113.018 176.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 43.7 p -161.51 144.52 12.33 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.418 ' HB ' ' O ' ' A' ' 5' ' ' SER . 67.5 mt 70.51 -64.74 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 O-C-N 123.598 0.561 . . . . 0.0 110.193 -175.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.44 68.64 0.86 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.23 0.538 . . . . 0.0 111.01 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 p -67.34 163.75 20.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.149 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.5 mt -77.2 128.2 38.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.816 0.341 . . . . 0.0 110.084 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -77.37 164.53 25.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.836 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -56.32 135.71 53.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.716 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.39 -1.97 86.27 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.916 174.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.4 mt -101.89 148.64 35.61 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 32.4 Cg_exo -61.01 126.13 18.8 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.144 2.562 . . . . 0.0 113.233 -176.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.6 p -129.33 162.64 27.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.282 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.6 mtt -128.93 -6.41 5.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.998 0.428 . . . . 0.0 110.803 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -141.01 155.4 46.2 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.439 ' O ' ' HA2' ' A' ' 24' ' ' GLY . 20.5 m-70 -70.87 -37.62 73.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.283 -177.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.7 p -67.94 -36.06 79.48 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -174.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -68.4 -30.22 69.09 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.9 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.9 t -72.18 133.61 45.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.214 0.531 . . . . 0.0 109.97 173.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.1 m -55.15 -31.56 61.41 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.098 -0.955 . . . . 0.0 113.222 -175.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -96.43 3.6 52.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.993 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 18' ' ' HIS . . . 73.11 16.8 78.5 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.913 176.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.479 HG13 ' HB2' ' A' ' 32' ' ' GLN . 2.2 p -135.94 115.65 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.707 0.765 . . . . 0.0 111.221 -179.039 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.6 t -115.73 112.66 22.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.64 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -126.86 135.84 51.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.581 -178.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.0 26.25 13.26 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.764 0.665 . . . . 0.0 110.62 -175.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 49.2 mt 62.97 29.21 16.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.768 -176.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -131.78 134.15 45.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.824 0.345 . . . . 0.0 110.292 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.5 t -64.56 118.34 8.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.714 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.479 ' HB2' HG13 ' A' ' 25' ' ' VAL . 26.7 mm-40 . . . . . 0 C--O 1.244 0.777 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.591 -176.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 112.087 -0.405 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 53.65 54.68 9.59 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 123.084 0.554 . . . . 0.0 110.806 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.405 HG21 ' O ' ' A' ' 19' ' ' SER . 23.6 mt -101.52 -67.1 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.087 0.47 . . . . 0.0 109.971 177.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -124.9 -89.53 0.58 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.005 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 p -118.24 131.49 56.36 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.189 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.4 mt 53.89 53.65 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.363 0.601 . . . . 0.0 109.48 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 71.78 -50.7 0.69 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.506 -176.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 p -168.45 153.76 6.55 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.8 mt -79.54 128.08 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -88.58 166.44 14.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.914 -169.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 22.8 ttmm -49.71 131.1 21.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.122 -0.945 . . . . 0.0 112.464 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.25 -2.35 85.11 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.085 175.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 85.6 mt -103.94 149.25 37.0 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 116.794 0.297 . . . . 0.0 110.61 -179.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 21.7 Cg_exo -64.84 134.48 40.54 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.051 2.501 . . . . 0.0 113.291 -176.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 p -137.98 161.26 37.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.51 176.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -113.7 -25.67 8.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 110.764 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -127.73 153.39 46.58 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -63.83 -31.96 73.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.483 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.405 ' O ' HG21 ' A' ' 3' ' ' ILE . 18.2 m -69.72 -28.69 66.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.633 178.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -59.88 -43.18 94.91 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.582 0.706 . . . . 0.0 109.52 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 6.5 t -70.41 127.37 32.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.305 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.25 -19.2 62.96 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.164 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.659 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 17.6 mmm180 -85.17 -12.21 53.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.943 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.13 4.88 90.43 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.312 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 p -134.23 115.43 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.625 0.726 . . . . 0.0 111.099 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.5 t -115.8 111.71 20.9 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -125.48 135.98 52.89 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.0 28.15 15.83 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.602 0.564 . . . . 0.0 110.397 -172.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 42.6 mt 61.88 29.33 17.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.66 -177.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -129.72 139.96 51.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.072 0.463 . . . . 0.0 110.521 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.5 t -71.38 123.36 22.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.85 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 19.9 mt-30 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.674 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.5 ' O ' ' HA ' ' A' ' 19' ' ' SER . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 pp -145.9 159.51 43.12 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.573 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 76.3 mt 66.77 95.48 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.387 0.613 . . . . 0.0 111.51 177.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -130.75 -62.9 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.217 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 p -112.65 117.87 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.893 -177.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.1 mt 54.56 66.38 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -177.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.573 ' O ' ' HA ' ' A' ' 3' ' ' ILE . . . 56.64 -103.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.965 -171.237 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -136.18 147.38 47.64 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.573 ' HB ' ' SG ' ' A' ' 31' ' ' CYS . 29.7 mt -78.47 131.87 33.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.209 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -76.0 160.8 29.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.183 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 25.2 ttpp -56.2 132.2 49.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.319 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.37 -1.65 60.56 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.476 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.0 mt -101.62 149.86 36.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 117.248 0.524 . . . . 0.0 110.664 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 25.3 Cg_exo -62.98 124.93 14.86 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.037 2.491 . . . . 0.0 112.93 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -130.46 164.7 24.21 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.498 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 83.5 mtp -134.87 2.61 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.804 0.335 . . . . 0.0 110.65 173.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.55 ' HB3' ' OD2' ' A' ' 20' ' ' ASP . 7.6 tp10 -146.92 144.78 29.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.485 ' HB3' ' O ' ' A' ' 24' ' ' GLY . 19.2 m-70 -71.41 -38.83 71.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.04 -171.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 1' ' ' GLY . 48.8 m -66.49 -20.46 66.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -175.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.55 ' OD2' ' HB3' ' A' ' 17' ' ' GLU . 15.5 m-20 -70.2 -31.05 68.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.925 0.393 . . . . 0.0 110.772 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 m -85.56 143.09 28.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.903 -178.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -26.6 68.86 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -172.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -94.66 3.95 54.44 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.864 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.485 ' O ' ' HB3' ' A' ' 18' ' ' HIS . . . 70.59 19.32 76.34 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.681 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 p -130.26 116.9 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.716 0.77 . . . . 0.0 112.087 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.6 113.31 23.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.811 175.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -128.78 134.86 48.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.603 0.239 . . . . 0.0 110.753 -176.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.13 28.16 17.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.51 -175.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 53.4 mt 61.63 29.23 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.44 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -136.13 132.85 36.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.823 173.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.573 ' SG ' ' HB ' ' A' ' 9' ' ' ILE . 98.7 m -63.16 124.92 22.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.691 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.368 -178.179 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.579 ' O ' ' HA ' ' A' ' 19' ' ' SER . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 112.214 -0.354 . . . . 0.0 112.214 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mp -119.78 146.87 45.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.809 -0.23 . . . . 0.0 110.65 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 87.7 mt 70.61 106.51 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 O-C-N 123.801 0.688 . . . . 0.0 111.586 175.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.72 -36.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.603 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t -111.7 77.32 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.9 mt 58.22 82.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -174.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 61.27 -157.31 0.34 Allowed 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -170.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.5 p -100.87 138.61 37.69 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.394 173.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.2 mt -78.82 144.92 10.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.767 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -83.66 161.32 21.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.296 0.57 . . . . 0.0 111.741 -176.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 24.8 ttpp -57.66 131.86 51.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.727 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.84 -13.18 59.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.86 -0.685 . . . . 0.0 113.288 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -99.45 155.33 36.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.87 0.335 . . . . 0.0 110.915 -176.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.544 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 36.1 Cg_exo -59.46 140.67 95.24 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.193 2.596 . . . . 0.0 113.446 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 p -147.53 161.19 41.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.151 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.0 mtm -119.78 -13.43 9.1 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.228 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -146.38 154.23 41.4 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.483 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 22.6 m-70 -55.02 -47.82 74.21 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.579 ' HA ' ' O ' ' A' ' 1' ' ' GLY . 59.4 m -64.0 -13.95 50.4 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -174.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -59.15 -43.84 92.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.681 0.277 . . . . 0.0 110.655 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.5 t -90.45 152.44 20.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.288 0.566 . . . . 0.0 111.664 -172.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.5 m -63.25 -17.82 62.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.19 176.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -89.92 -14.01 35.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.792 0.329 . . . . 0.0 111.206 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.5 18.52 75.53 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.164 -0.541 . . . . 0.0 113.151 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.54 HG13 ' HG2' ' A' ' 32' ' ' GLN . 1.6 p -140.17 116.92 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.293 0.568 . . . . 0.0 111.214 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.9 t -116.33 126.04 52.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.811 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -134.74 129.72 35.11 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.07 31.33 19.79 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.544 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 44.2 mt 62.38 26.56 15.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.475 -177.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -136.65 142.33 43.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 172.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.5 t -72.67 126.32 29.6 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.54 ' HG2' HG13 ' A' ' 25' ' ' VAL . 3.5 pt20 . . . . . 0 C--O 1.246 0.873 0 O-C-N 123.888 0.742 . . . . 0.0 112.288 -173.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.465 ' O ' ' HB2' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.557 ' H ' ' HB3' ' A' ' 19' ' ' SER . 4.6 mm? 73.3 153.58 0.14 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.458 0.703 . . . . 0.0 111.15 -178.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 60.8 mt 67.13 86.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 121.662 0.744 . . . . 0.0 111.504 178.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -105.01 1.07 28.28 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 169.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -150.37 163.16 39.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.123 -1.399 . . . . 0.0 107.765 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.5 mt -58.59 111.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 123.474 0.484 . . . . 0.0 110.275 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.412 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . 59.14 50.54 7.93 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.271 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 7' ' ' ALA . 15.2 p 51.26 172.55 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.804 1.242 . . . . 0.0 113.436 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.4 mt -92.86 130.09 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.222 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -68.26 152.46 45.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.485 -174.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -56.88 129.73 42.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.526 -1.216 . . . . 0.0 110.526 176.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.24 -12.4 57.14 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.783 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.7 mt -102.32 152.46 38.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 122.586 -0.361 . . . . 0.0 110.934 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 23.6 Cg_exo -63.65 138.86 66.57 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.099 2.533 . . . . 0.0 113.01 -178.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 20' ' ' ASP . 14.0 p -153.53 134.34 13.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.294 176.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 79.9 mtp -100.96 7.34 43.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.838 0.351 . . . . 0.0 111.185 -174.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -152.35 136.1 16.23 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.504 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 7.1 m-70 -53.88 -33.83 57.63 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.643 -174.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.557 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 19.3 m -74.04 -15.52 61.07 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -176.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.437 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -68.97 -47.17 66.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.092 0.473 . . . . 0.0 110.049 175.794 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 11.3 t -65.54 133.67 51.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.911 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.3 m -55.43 -27.11 45.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.084 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -86.74 -7.75 57.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.311 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.81 7.03 88.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.562 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.504 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 0.4 OUTLIER -138.73 116.77 12.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.49 0.662 . . . . 0.0 111.376 -177.241 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 67.1 m -110.29 121.49 45.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.823 177.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -120.27 131.18 54.81 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.23 33.29 23.0 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.53 0.519 . . . . 0.0 110.789 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 66.5 mt 62.54 31.66 16.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.46 -177.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -135.0 143.5 46.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.429 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.49 111.56 4.77 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.502 ' HG2' HG13 ' A' ' 25' ' ' VAL . 2.6 pt20 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.958 -1.02 . . . . 0.0 112.495 -169.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.449 -0.506 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -84.78 120.04 34.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -74.79 161.93 29.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.608 -171.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 36.3 ttpt -49.3 128.79 17.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.931 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.96 -8.19 65.2 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.024 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.2 mt -101.81 151.09 37.88 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 117.056 0.428 . . . . 0.0 110.482 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.567 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 16.1 Cg_exo -67.05 136.89 42.55 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.946 2.43 . . . . 0.0 112.762 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 p -140.75 158.51 43.86 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.649 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -126.19 25.04 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.364 0.602 . . . . 0.0 109.814 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.582 ' HG3' ' H ' ' A' ' 19' ' ' SER . 9.2 tp10 -170.98 141.82 1.76 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.908 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -63.94 -29.55 70.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.542 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.582 ' H ' ' HG3' ' A' ' 17' ' ' GLU . 6.3 t -72.8 -17.91 61.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.439 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -71.42 -47.28 56.97 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.244 0.545 . . . . 0.0 110.306 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 t -67.58 137.06 55.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.742 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.3 m -54.55 -36.5 64.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.644 -1.162 . . . . 0.0 113.272 -173.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -104.66 18.94 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.858 -0.737 . . . . 0.0 112.261 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.6 15.67 81.08 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.02 -0.61 . . . . 0.0 114.445 167.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 p -131.03 113.29 23.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.812 0.815 . . . . 0.0 111.645 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.1 t -117.75 111.69 19.44 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.169 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -128.41 138.58 52.4 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.64 26.77 16.37 Favored 'General case' 0 CA--C 1.521 -0.153 0 O-C-N 123.768 0.667 . . . . 0.0 110.307 -174.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 58.1 mt 61.27 31.63 19.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.428 -176.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -137.14 139.23 41.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.983 0.42 . . . . 0.0 110.377 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.6 t -68.51 116.25 8.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.518 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.422 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 19.9 mt-30 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.364 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 122.293 1.044 . . . . 0.0 113.009 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.63 141.52 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.465 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.431 ' HB2' HD23 ' A' ' 13' ' ' LEU . 14.3 mm100 -89.34 166.67 13.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.397 -174.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HG3' ' OXT' ' A' ' 32' ' ' GLN . 25.0 ttpp -57.63 130.96 48.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.119 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.07 -2.85 76.14 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.32 175.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.431 HD23 ' HB2' ' A' ' 10' ' ' GLN . 3.2 mm? -101.45 155.87 35.85 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.951 0.375 . . . . 0.0 110.381 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.608 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 35.6 Cg_exo -62.47 130.37 29.82 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.152 2.568 . . . . 0.0 112.976 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 29' ' ' LEU . 23.2 p -146.25 137.2 24.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.471 176.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.2 mtt -105.34 5.2 31.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.114 0.483 . . . . 0.0 110.821 -174.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . 36.6 tt0 -158.05 142.36 16.0 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.581 ' O ' ' HA2' ' A' ' 24' ' ' GLY . 13.1 m-70 -61.26 -27.23 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.623 -175.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.2 m -68.73 -38.54 80.28 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -172.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.481 ' OD1' ' HB3' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -75.91 -16.06 60.09 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -172.787 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -88.03 146.51 25.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.131 0.491 . . . . 0.0 110.727 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.5 m -61.89 -30.33 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.191 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -91.54 -8.37 47.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.586 -175.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.581 ' HA2' ' O ' ' A' ' 18' ' ' HIS . . . 65.19 20.6 67.36 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 114.476 0.55 . . . . 0.0 114.476 173.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.515 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 2.9 p -139.07 113.63 7.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 117.799 0.8 . . . . 0.0 111.302 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.1 m -118.25 127.5 53.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.041 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -136.19 133.06 36.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.55 32.02 21.68 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.571 0.544 . . . . 0.0 110.947 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.608 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 52.4 mt 63.19 27.21 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.471 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -132.51 140.19 48.23 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 171.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.4 t -77.75 126.12 30.38 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.314 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.432 ' OXT' ' HG3' ' A' ' 11' ' ' LYS . 20.3 mt-30 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.878 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.45 -0.462 0 CA-C-O 121.181 0.515 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.1 mt -89.71 130.66 38.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.371 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HG2' HD12 ' A' ' 13' ' ' LEU . 4.1 pt20 -78.89 163.13 25.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.257 0.551 . . . . 0.0 111.911 -173.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HG3' ' OXT' ' A' ' 32' ' ' GLN . 45.4 tttm -51.09 131.56 27.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.033 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.62 -6.18 67.54 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.976 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.437 HD12 ' HG2' ' A' ' 10' ' ' GLN . 56.1 mt -104.47 150.85 38.95 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.848 0.324 . . . . 0.0 110.646 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.534 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 33.9 Cg_exo -62.37 142.83 92.37 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.109 2.539 . . . . 0.0 113.383 -178.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.1 p -138.95 155.3 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.517 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.8 mtt -116.98 -13.83 10.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.27 0.557 . . . . 0.0 110.305 178.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -136.28 146.93 47.22 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -55.72 -39.38 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.543 0.211 . . . . 0.0 111.14 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.3 m -64.46 -15.47 60.76 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -67.45 -47.26 70.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.125 0.488 . . . . 0.0 109.969 176.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 t -69.78 140.35 53.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.36 -174.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.8 m -58.73 -32.2 68.99 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.686 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.418 HH21 ' C ' ' A' ' 32' ' ' GLN . 48.7 mtm180 -94.12 1.53 56.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.353 178.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.06 6.08 81.92 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.711 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.87 115.35 49.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.136 0.494 . . . . 0.0 110.82 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.5 t -115.21 112.97 23.29 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -127.41 131.69 50.24 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.49 25.96 15.58 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.851 0.719 . . . . 0.0 110.208 -174.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 46.7 mt 60.53 34.73 20.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.962 -174.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -133.78 138.65 45.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.104 172.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.8 t -68.39 125.17 25.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.469 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.442 ' OXT' ' HG3' ' A' ' 11' ' ' LYS . 14.3 mt-30 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.432 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 121.789 0.804 . . . . 0.0 112.648 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.2 mt -99.56 142.63 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.416 173.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.403 HE21 ' HB2' ' A' ' 10' ' ' GLN . 1.6 mp0 -88.93 168.09 12.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.045 0.45 . . . . 0.0 111.784 -176.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HD3' HH22 ' A' ' 23' ' ' ARG . 23.1 ttpp -51.09 141.08 14.79 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.243 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.47 -3.75 76.55 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.974 -0.631 . . . . 0.0 113.308 171.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.6 mt -101.12 152.48 37.91 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.587 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 31.0 Cg_exo -62.1 131.51 34.97 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.023 2.482 . . . . 0.0 113.171 -177.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 p -138.65 161.69 36.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.999 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.9 mtt -120.83 -21.38 6.63 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.997 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -130.44 149.72 51.98 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.442 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 8.7 m-70 -54.48 -41.94 70.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.66 0.266 . . . . 0.0 111.482 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.1 m -66.16 -14.02 61.15 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -59.03 -36.95 75.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.157 0.503 . . . . 0.0 110.284 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.7 t -100.81 145.63 28.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.737 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 58.8 m -58.24 -28.07 64.54 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.083 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.426 HH22 ' HD3' ' A' ' 11' ' ' LYS . 51.1 mtm-85 -80.84 -6.46 58.62 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.545 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 18' ' ' HIS . . . 67.06 23.91 73.05 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.106 176.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.442 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 3.1 p -135.29 114.28 16.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.665 0.745 . . . . 0.0 111.164 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.0 t -118.42 117.38 28.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.453 177.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -126.62 132.73 51.19 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.66 28.25 17.96 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 123.581 0.55 . . . . 0.0 110.927 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.587 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 51.0 mt 62.41 31.42 17.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.166 -177.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -138.02 140.77 40.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.344 172.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.5 t -71.37 133.09 45.71 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.948 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 . . . . . 0 C--O 1.249 1.065 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.736 177.491 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.449 -0.486 0 CA-C-O 121.021 0.439 . . . . 0.0 110.433 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.8 mt -85.7 144.0 10.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.252 -174.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.43 ' H ' ' NE2' ' A' ' 10' ' ' GLN . 1.8 mp0 -76.67 159.27 30.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.441 -175.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -64.09 129.32 39.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.328 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.51 -8.15 66.32 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.151 -0.547 . . . . 0.0 113.377 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.29 156.82 35.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.873 0.337 . . . . 0.0 110.854 -176.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 37.0 Cg_exo -61.18 133.21 45.48 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.203 2.602 . . . . 0.0 113.468 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -136.74 172.29 13.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.249 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 64.3 mtt -133.45 -31.5 1.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.416 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -123.04 151.89 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 177.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -59.92 -27.9 67.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.619 0.247 . . . . 0.0 111.385 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -71.31 -17.02 62.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.623 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -66.33 -47.48 73.35 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.269 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.5 m -79.62 138.35 37.39 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.476 -173.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.4 m -56.06 -35.52 67.04 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.699 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 23' ' ' ARG . 12.8 ptm180 -88.36 10.62 19.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.581 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.83 4.76 49.05 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 114.714 0.645 . . . . 0.0 114.714 171.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.427 ' HB ' ' HG2' ' A' ' 32' ' ' GLN . 61.3 t -124.02 120.01 58.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 117.774 0.787 . . . . 0.0 111.863 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.0 t -115.24 125.26 53.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -132.75 127.68 35.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.714 -0.106 . . . . 0.0 110.714 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.17 33.04 22.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.142 0.496 . . . . 0.0 111.0 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 49.0 mt 63.3 27.05 15.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.341 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -137.93 134.54 35.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.081 173.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.4 m -66.03 117.06 7.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.048 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 2.5 pt20 . . . . . 0 C--O 1.244 0.802 0 O-C-N 123.962 0.789 . . . . 0.0 112.482 -174.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.467 0.4 0 CA-C-O 122.058 0.932 . . . . 0.0 111.644 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.6 mt -90.32 145.73 7.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.716 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -77.09 157.08 31.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.365 0.602 . . . . 0.0 111.003 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 39.3 ttpt -63.22 134.31 55.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.028 -178.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.29 -3.55 72.68 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.04 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.8 mt -104.3 156.56 35.62 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.878 0.339 . . . . 0.0 110.836 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.514 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 32.4 Cg_exo -59.56 135.84 67.19 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.165 2.577 . . . . 0.0 113.272 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.3 p -147.28 169.48 19.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.137 -0.938 . . . . 0.0 108.81 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.8 ttp -122.4 -26.11 4.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.379 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -125.83 152.43 45.49 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -58.01 -43.26 86.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.701 0.286 . . . . 0.0 111.225 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 p -68.36 -14.51 63.05 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -59.47 -35.41 74.03 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 110.7 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.4 t -102.54 146.35 28.27 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.38 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.6 m -62.16 -19.78 63.43 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 176.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.547 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 20.7 mmm180 -71.9 -18.02 62.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.183 176.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.89 7.0 69.06 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.381 -0.438 . . . . 0.0 112.826 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 p -136.15 114.89 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.545 0.688 . . . . 0.0 111.47 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.7 t -118.0 118.18 31.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.51 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -133.84 138.02 45.39 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.83 28.22 17.66 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.512 0.508 . . . . 0.0 110.821 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.514 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 55.8 mt 65.03 22.41 12.39 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.83 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -133.87 137.11 44.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.948 0.404 . . . . 0.0 110.106 174.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 36.4 t -70.92 128.41 35.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.332 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.045 -176.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 p . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.837 0.351 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.7 mt -77.46 128.24 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.106 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.11 157.55 37.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.54 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -53.88 130.15 36.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.021 177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.77 -6.2 69.97 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.944 -0.646 . . . . 0.0 113.073 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.9 mt -101.02 152.28 37.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.787 0.294 . . . . 0.0 110.675 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 25.4 Cg_exo -63.45 132.9 37.62 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.164 2.576 . . . . 0.0 113.142 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.3 p -141.63 168.56 19.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.19 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -122.84 -28.67 4.09 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.563 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.24 159.23 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.251 -0.28 . . . . 0.0 110.389 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -52.45 -49.68 64.15 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.919 0.39 . . . . 0.0 111.065 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.9 p -60.73 -23.37 64.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.637 -175.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -62.75 -47.79 81.99 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.446 0.641 . . . . 0.0 110.151 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 6.2 t -79.7 136.18 36.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.219 -172.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.8 m -56.73 -26.31 56.73 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.112 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.567 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 19.1 mmm180 -78.43 -17.06 56.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.53 5.0 85.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.755 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.475 HG13 ' HG2' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -140.91 121.31 13.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.153 0.501 . . . . 0.0 110.494 -178.702 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.4 t -112.29 112.6 24.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.796 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -120.21 131.72 55.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.383 -175.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.63 29.79 19.26 Favored 'General case' 0 CA--C 1.52 -0.175 0 O-C-N 123.641 0.588 . . . . 0.0 110.606 -176.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 51.0 mt 61.34 28.22 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.444 -177.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -132.65 139.22 47.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.151 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.6 t -67.59 116.59 8.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HG2' HG13 ' A' ' 25' ' ' VAL . 2.3 pt20 . . . . . 0 C--O 1.252 1.228 0 CA-C-O 117.99 -1.005 . . . . 0.0 112.03 -171.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 121.432 0.634 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -91.78 134.62 29.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -74.32 153.97 39.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.339 0.59 . . . . 0.0 111.799 -175.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -63.29 133.15 53.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.813 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.76 -7.79 63.31 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.245 -177.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.7 mt -102.46 157.74 33.12 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.574 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 25.4 Cg_exo -63.81 133.87 41.03 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.966 2.444 . . . . 0.0 113.109 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.6 p -149.13 139.64 22.51 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.194 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 81.5 mtp -98.71 -11.38 22.01 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.62 -173.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.44 149.08 40.53 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.494 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 28.9 m-70 -51.68 -45.43 63.46 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 122.677 0.391 . . . . 0.0 111.579 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.6 p -65.08 -15.38 62.3 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -174.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -65.22 -33.74 76.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.173 0.511 . . . . 0.0 110.653 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -105.89 143.86 33.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.211 -176.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.38 -22.42 64.96 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.34 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.683 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 16.2 mmm180 -71.75 -17.48 62.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.148 176.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.6 9.65 59.09 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 113.431 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.494 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 2.7 p -137.73 114.38 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 121.695 0.76 . . . . 0.0 111.252 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.3 m -118.1 123.11 44.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.394 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -131.0 138.9 49.89 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.61 28.35 18.04 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 123.74 0.65 . . . . 0.0 110.584 -176.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 52.1 mt 63.54 28.34 15.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.234 -177.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -133.45 140.05 47.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.11 173.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 40.4 t -75.6 128.9 36.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.244 0.793 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.501 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.47 0.575 0 CA-C-O 121.353 0.597 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.438 ' HB ' ' SG ' ' A' ' 31' ' ' CYS . 11.3 mt -92.05 130.92 40.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.23 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -74.03 161.59 29.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.631 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -57.15 127.34 31.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.665 -178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.17 -2.02 63.19 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.442 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -101.68 151.3 37.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 117.241 0.52 . . . . 0.0 110.28 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.591 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 16.4 Cg_exo -67.43 143.43 63.4 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.018 2.479 . . . . 0.0 113.101 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 p -127.47 175.58 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.113 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.8 mtt -130.39 -4.98 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.841 0.353 . . . . 0.0 110.511 171.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -152.09 151.07 30.62 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -60.51 -36.14 77.65 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.763 0.316 . . . . 0.0 111.536 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 p -65.31 -14.93 61.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.434 ' HB3' HD12 ' A' ' 9' ' ' ILE . 48.1 m-20 -59.95 -43.28 95.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.965 0.412 . . . . 0.0 110.842 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 m -83.35 146.25 28.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.641 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.4 m -55.65 -40.84 72.76 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.422 HH21 ' NE2' ' A' ' 32' ' ' GLN . 15.4 mtm180 -83.14 -0.22 48.24 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.614 -177.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.3 4.74 69.81 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.022 -0.608 . . . . 0.0 113.099 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.471 HG13 ' HG2' ' A' ' 32' ' ' GLN . 2.0 p -117.73 115.5 48.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.597 0.713 . . . . 0.0 111.144 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.5 t -117.26 140.67 49.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.763 174.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -129.84 124.28 32.91 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.666 -177.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.97 38.76 24.18 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.0 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.591 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 54.4 mt 57.85 30.19 18.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.63 -177.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -134.55 130.24 36.26 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 171.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.438 ' SG ' ' HB ' ' A' ' 9' ' ' ILE . 90.9 m -61.9 121.54 13.2 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 178.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.471 ' HG2' HG13 ' A' ' 25' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.121 -0.942 . . . . 0.0 111.595 -176.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.0 p . . . . . 0 C--O 1.234 0.27 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 21' ' ' CYS . 22.3 mt -86.29 117.24 30.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.427 HE21 ' HB2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -83.17 165.67 19.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.229 0.538 . . . . 0.0 112.333 -169.494 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 39.3 ttmt -47.94 128.31 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.687 -1.142 . . . . 0.0 113.033 -176.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.8 -13.72 62.15 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.999 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -98.01 151.48 37.57 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.839 0.319 . . . . 0.0 110.67 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.579 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 23.5 Cg_exo -63.91 136.44 52.91 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.986 2.457 . . . . 0.0 112.975 -178.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -150.83 131.41 13.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.715 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 60.2 mtm -95.3 -10.55 29.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.978 0.418 . . . . 0.0 110.776 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HG3' ' H ' ' A' ' 19' ' ' SER . 8.8 tp10 -134.77 140.21 45.74 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -63.59 -27.55 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.21 -174.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.498 ' H ' ' HG3' ' A' ' 17' ' ' GLU . 16.0 m -63.44 -38.06 89.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.566 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.423 ' OD1' ' HB3' ' A' ' 17' ' ' GLU . 4.4 m-20 -60.87 -45.55 94.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.105 0.479 . . . . 0.0 110.963 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 5.9 t -62.47 129.79 42.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.731 -176.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 64.0 m -56.67 -30.86 63.85 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.916 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.71 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 18.9 mmm180 -80.4 -16.81 53.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.96 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.17 4.96 89.86 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.437 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 p -133.9 116.81 24.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.497 0.665 . . . . 0.0 111.221 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 84.9 m -113.76 112.76 23.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.035 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -123.53 132.36 53.88 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.5 30.58 19.87 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.675 0.609 . . . . 0.0 110.451 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.579 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 70.1 mt 64.16 28.45 14.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.639 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -131.36 141.63 49.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.908 0.385 . . . . 0.0 110.818 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.6 t -69.38 116.16 9.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.53 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 25.2 mm-40 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.785 -172.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.237 0.412 0 CA-C-O 121.093 0.473 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.3 mt -86.89 119.77 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -77.38 163.82 26.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.583 0.706 . . . . 0.0 112.171 -170.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 23.4 ttpp -48.31 127.85 13.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.238 -1.347 . . . . 0.0 111.552 175.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.56 -2.15 57.27 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.202 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 73.6 mt -116.8 154.47 49.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 117.046 0.423 . . . . 0.0 111.041 -179.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 15.8 Cg_exo -66.7 137.03 44.34 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.104 2.536 . . . . 0.0 113.353 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 20' ' ' ASP . 10.9 p -146.29 132.71 19.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.43 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 77.1 mtp -92.35 -23.92 19.08 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.565 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -123.58 140.89 52.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -53.46 -30.44 40.81 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.709 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.8 m -62.68 -30.47 71.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.431 0.457 . . . . 0.0 111.831 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 49.3 m-20 -67.65 -39.47 84.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -176.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.5 t -66.45 133.16 49.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.842 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.8 m -55.51 -28.98 57.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.603 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.5 HH21 ' C ' ' A' ' 32' ' ' GLN . 41.5 mtm180 -95.79 0.08 51.86 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.631 -0.427 . . . . 0.0 111.271 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.51 10.78 85.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.257 -0.497 . . . . 0.0 113.262 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.648 HG13 ' HG2' ' A' ' 32' ' ' GLN . 1.3 p -132.18 116.67 30.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.627 0.727 . . . . 0.0 111.619 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.7 m -114.9 122.3 45.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.054 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -126.5 132.02 51.49 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.66 26.93 16.65 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.319 0.58 . . . . 0.0 110.184 -172.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 52.0 mt 64.2 31.35 13.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.396 -177.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -129.46 140.32 51.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.256 173.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.13 112.26 5.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.648 ' HG2' HG13 ' A' ' 25' ' ' VAL . 2.3 pt20 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.31 -0.852 . . . . 0.0 111.188 -172.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 p . . . . . 0 C--O 1.233 0.197 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 mt -95.21 135.29 29.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 172.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.04 165.96 15.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.962 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -52.35 133.16 34.88 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.083 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.25 76.81 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.662 -0.699 . . . . 0.0 113.242 173.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.6 mt -99.93 152.29 37.77 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.749 0.275 . . . . 0.0 110.825 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.599 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 19.6 Cg_exo -65.65 138.1 52.69 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.07 2.513 . . . . 0.0 113.087 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 p -124.28 176.52 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.389 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -122.12 -9.15 8.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.803 0.335 . . . . 0.0 110.197 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -162.01 156.41 22.18 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.951 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -58.73 -38.32 78.1 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.927 0.394 . . . . 0.0 111.337 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -64.41 -13.13 49.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.915 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -72.24 -32.07 66.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.341 0.591 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 m -95.13 137.87 33.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.657 -173.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.3 m -58.02 -32.34 67.85 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.895 0.379 . . . . 0.0 111.747 178.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -77.9 -5.17 50.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.157 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.48 4.05 43.2 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 116.248 -0.433 . . . . 0.0 114.04 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -128.86 115.2 35.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.834 0.826 . . . . 0.0 111.193 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.8 t -118.68 130.09 55.64 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.341 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.404 ' OE2' ' HG3' ' A' ' 32' ' ' GLN . 42.9 mt-10 -127.67 128.14 44.94 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.95 35.98 18.9 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.663 0.602 . . . . 0.0 110.841 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.599 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 58.7 mt 59.12 30.03 19.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.475 -177.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -128.79 128.74 44.56 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 171.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.0 m -63.45 123.41 18.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.327 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.404 ' HG3' ' OE2' ' A' ' 27' ' ' GLU . 29.4 mm-40 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.616 -0.707 . . . . 0.0 109.923 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 121.568 0.699 . . . . 0.0 112.176 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.7 mt -89.22 140.25 16.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.751 174.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -82.2 163.09 22.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.381 0.61 . . . . 0.0 111.962 -176.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -61.08 135.42 57.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.195 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.9 -2.35 87.77 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.963 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 mt -100.97 153.69 37.58 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 122.634 -0.333 . . . . 0.0 110.325 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.586 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 31.2 Cg_exo -59.95 135.41 62.86 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.121 2.548 . . . . 0.0 113.212 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.1 p -140.99 159.06 43.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.57 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -115.76 -26.95 7.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.789 0.328 . . . . 0.0 110.521 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . 9.0 tp10 -124.95 154.61 40.91 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -59.19 -44.32 92.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.846 0.355 . . . . 0.0 111.076 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -65.14 -14.71 61.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.447 -176.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.44 ' OD1' ' HB3' ' A' ' 17' ' ' GLU . 39.1 m-20 -59.14 -35.34 73.33 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.27 0.557 . . . . 0.0 110.639 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.1 t -105.27 144.54 31.91 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.199 -175.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.2 m -58.48 -21.35 51.37 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.533 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.405 ' HD3' ' SG ' ' A' ' 31' ' ' CYS . 74.3 mtp85 -84.44 -10.74 57.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.61 14.99 63.47 Favored Glycine 0 C--N 1.332 0.337 0 CA-C-N 116.048 -0.523 . . . . 0.0 114.115 174.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 p -134.35 115.66 20.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.605 0.717 . . . . 0.0 111.437 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.0 t -117.68 120.26 37.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.799 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -136.26 136.42 39.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.6 26.42 16.12 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.528 -174.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 56.7 mt 61.6 28.21 17.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.503 -177.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -133.33 139.78 47.05 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 172.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.405 ' SG ' ' HD3' ' A' ' 23' ' ' ARG . 42.9 t -67.54 119.75 12.84 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.13 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.856 178.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.4 p . . . . . 0 N--CA 1.444 -0.744 0 CA-C-O 120.983 0.42 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.4 mt -82.76 140.33 16.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.525 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.647 ' HA ' HE21 ' A' ' 10' ' ' GLN . 0.0 OUTLIER -87.42 166.7 14.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.118 0.485 . . . . 0.0 111.645 -173.395 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -54.38 132.96 45.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.795 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.67 -12.8 65.94 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.958 -0.639 . . . . 0.0 113.167 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -99.86 151.27 37.43 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 117.009 0.405 . . . . 0.0 110.389 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 27.4 Cg_exo -62.83 137.13 61.27 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.236 2.624 . . . . 0.0 113.659 -176.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.4 p -140.08 161.49 37.49 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.242 175.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.2 mtt -125.2 -23.26 4.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.781 0.324 . . . . 0.0 111.088 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -123.82 147.26 47.74 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.414 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 15.8 m-70 -59.97 -29.18 68.26 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.669 0.271 . . . . 0.0 110.944 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -65.18 -27.56 68.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.416 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -65.2 -47.61 76.29 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.727 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 14.6 t -72.39 126.75 30.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.693 -177.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -17.22 64.37 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.948 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.727 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 19.7 mmm180 -81.59 -14.88 56.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.784 177.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.53 3.93 90.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.277 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 1.8 p -132.68 115.03 23.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.729 0.776 . . . . 0.0 110.771 -178.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -116.62 112.91 21.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.319 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -130.03 140.55 50.85 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.66 27.55 14.44 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.719 0.637 . . . . 0.0 110.536 -174.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 49.7 mt 62.62 28.31 16.57 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.137 -178.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -132.84 142.45 48.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.163 0.506 . . . . 0.0 110.945 175.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.5 t -72.91 119.77 17.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.053 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.551 -0.738 . . . . 0.0 111.241 -177.217 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.2 p . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.5 mt -89.59 131.36 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.345 174.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -69.33 152.27 45.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.541 0.686 . . . . 0.0 111.464 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 4.1 ttpm? -58.47 136.57 57.54 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.658 -1.156 . . . . 0.0 110.944 178.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.58 -5.02 73.51 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.839 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.9 mt -103.38 158.51 31.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.697 0.249 . . . . 0.0 110.515 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 39.6 Cg_exo -61.98 135.24 54.14 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.864 2.376 . . . . 0.0 112.922 178.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 p -139.75 165.64 26.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.264 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.3 mtt -117.38 -35.06 4.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.773 0.32 . . . . 0.0 110.555 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.72 159.07 27.36 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -60.88 -43.87 97.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 p -64.36 -15.56 60.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -62.15 -45.97 91.07 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.289 0.566 . . . . 0.0 111.142 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.3 t -88.07 151.49 22.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.527 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.8 m -60.23 -27.51 67.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.568 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.695 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 17.6 mmm180 -76.43 -18.28 58.9 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.047 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.9 4.97 68.48 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 121.038 -0.601 . . . . 0.0 113.321 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -131.62 115.98 29.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.474 0.654 . . . . 0.0 111.268 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.5 t -116.99 129.5 56.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.824 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -139.57 130.55 26.31 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.126 0.266 . . . . 0.0 110.46 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.57 33.88 23.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.052 0.453 . . . . 0.0 110.809 -177.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 48.4 mt 64.22 21.73 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.57 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -131.68 139.98 49.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.068 0.461 . . . . 0.0 110.195 174.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.695 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 42.6 t -79.13 131.28 36.17 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.193 -177.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.698 -0.667 . . . . 0.0 111.537 -177.473 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 p . . . . . 0 C--O 1.234 0.271 0 N-CA-C 110.149 -0.315 . . . . 0.0 110.149 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.5 mt -77.2 128.2 38.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.816 0.341 . . . . 0.0 110.084 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -77.37 164.53 25.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.836 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -56.32 135.71 53.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.716 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.39 -1.97 86.27 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.916 174.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.4 mt -101.89 148.64 35.61 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 32.4 Cg_exo -61.01 126.13 18.8 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.144 2.562 . . . . 0.0 113.233 -176.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.6 p -129.33 162.64 27.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.282 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.6 mtt -128.93 -6.41 5.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.998 0.428 . . . . 0.0 110.803 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -141.01 155.4 46.2 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.439 ' O ' ' HA2' ' A' ' 24' ' ' GLY . 20.5 m-70 -70.87 -37.62 73.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.283 -177.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.7 p -67.94 -36.06 79.48 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -174.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -68.4 -30.22 69.09 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.9 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.9 t -72.18 133.61 45.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.214 0.531 . . . . 0.0 109.97 173.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.1 m -55.15 -31.56 61.41 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.098 -0.955 . . . . 0.0 113.222 -175.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -96.43 3.6 52.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.993 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 18' ' ' HIS . . . 73.11 16.8 78.5 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.913 176.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.479 HG13 ' HB2' ' A' ' 32' ' ' GLN . 2.2 p -135.94 115.65 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.707 0.765 . . . . 0.0 111.221 -179.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.6 t -115.73 112.66 22.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.64 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -126.86 135.84 51.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.581 -178.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.0 26.25 13.26 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.764 0.665 . . . . 0.0 110.62 -175.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 49.2 mt 62.97 29.21 16.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.768 -176.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -131.78 134.15 45.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.824 0.345 . . . . 0.0 110.292 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.5 t -64.56 118.34 8.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.714 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.479 ' HB2' HG13 ' A' ' 25' ' ' VAL . 26.7 mm-40 . . . . . 0 C--O 1.244 0.777 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.591 -176.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 p . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.8 mt -79.54 128.08 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.587 ' HA ' HE21 ' A' ' 10' ' ' GLN . 0.1 OUTLIER -88.58 166.44 14.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.914 -169.611 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 22.8 ttmm -49.71 131.1 21.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.122 -0.945 . . . . 0.0 112.464 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.25 -2.35 85.11 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.085 175.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 85.6 mt -103.94 149.25 37.0 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 116.794 0.297 . . . . 0.0 110.61 -179.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 21.7 Cg_exo -64.84 134.48 40.54 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.051 2.501 . . . . 0.0 113.291 -176.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 p -137.98 161.26 37.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.51 176.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -113.7 -25.67 8.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 110.764 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -127.73 153.39 46.58 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -63.83 -31.96 73.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.483 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 m -69.72 -28.69 66.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.633 178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -59.88 -43.18 94.91 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.582 0.706 . . . . 0.0 109.52 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 6.5 t -70.41 127.37 32.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.305 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.25 -19.2 62.96 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.164 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.659 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 17.6 mmm180 -85.17 -12.21 53.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.943 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.13 4.88 90.43 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.312 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 p -134.23 115.43 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.625 0.726 . . . . 0.0 111.099 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.5 t -115.8 111.71 20.9 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -125.48 135.98 52.89 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.0 28.15 15.83 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.602 0.564 . . . . 0.0 110.397 -172.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 42.6 mt 61.88 29.33 17.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.66 -177.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -129.72 139.96 51.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.072 0.463 . . . . 0.0 110.521 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.5 t -71.38 123.36 22.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.85 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 19.9 mt-30 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.674 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.573 ' HB ' ' SG ' ' A' ' 31' ' ' CYS . 29.7 mt -78.47 131.87 33.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.209 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -76.0 160.8 29.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.183 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 25.2 ttpp -56.2 132.2 49.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.319 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.37 -1.65 60.56 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.476 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.0 mt -101.62 149.86 36.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 117.248 0.524 . . . . 0.0 110.664 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 25.3 Cg_exo -62.98 124.93 14.86 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.037 2.491 . . . . 0.0 112.93 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -130.46 164.7 24.21 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.498 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 83.5 mtp -134.87 2.61 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.804 0.335 . . . . 0.0 110.65 173.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.55 ' HB3' ' OD2' ' A' ' 20' ' ' ASP . 7.6 tp10 -146.92 144.78 29.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.485 ' HB3' ' O ' ' A' ' 24' ' ' GLY . 19.2 m-70 -71.41 -38.83 71.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.04 -171.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.8 m -66.49 -20.46 66.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -175.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.55 ' OD2' ' HB3' ' A' ' 17' ' ' GLU . 15.5 m-20 -70.2 -31.05 68.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.925 0.393 . . . . 0.0 110.772 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 m -85.56 143.09 28.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.903 -178.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -26.6 68.86 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -172.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -94.66 3.95 54.44 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.864 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.485 ' O ' ' HB3' ' A' ' 18' ' ' HIS . . . 70.59 19.32 76.34 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.681 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 p -130.26 116.9 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.716 0.77 . . . . 0.0 112.087 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.6 113.31 23.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.811 175.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -128.78 134.86 48.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.603 0.239 . . . . 0.0 110.753 -176.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.13 28.16 17.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.51 -175.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 53.4 mt 61.63 29.23 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.44 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -136.13 132.85 36.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.823 173.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.573 ' SG ' ' HB ' ' A' ' 9' ' ' ILE . 98.7 m -63.16 124.92 22.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.691 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.368 -178.179 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.5 p . . . . . 0 N--CA 1.449 -0.502 0 CA-C-O 121.21 0.529 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.2 mt -78.82 144.92 10.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.767 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -83.66 161.32 21.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.296 0.57 . . . . 0.0 111.741 -176.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 24.8 ttpp -57.66 131.86 51.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.727 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.84 -13.18 59.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.86 -0.685 . . . . 0.0 113.288 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -99.45 155.33 36.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.87 0.335 . . . . 0.0 110.915 -176.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.544 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 36.1 Cg_exo -59.46 140.67 95.24 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.193 2.596 . . . . 0.0 113.446 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 p -147.53 161.19 41.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.151 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.0 mtm -119.78 -13.43 9.1 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.228 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -146.38 154.23 41.4 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.483 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 22.6 m-70 -55.02 -47.82 74.21 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.4 m -64.0 -13.95 50.4 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -59.15 -43.84 92.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.681 0.277 . . . . 0.0 110.655 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.5 t -90.45 152.44 20.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.288 0.566 . . . . 0.0 111.664 -172.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.5 m -63.25 -17.82 62.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.19 176.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -89.92 -14.01 35.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.792 0.329 . . . . 0.0 111.206 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.5 18.52 75.53 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.164 -0.541 . . . . 0.0 113.151 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.54 HG13 ' HG2' ' A' ' 32' ' ' GLN . 1.6 p -140.17 116.92 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.293 0.568 . . . . 0.0 111.214 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.9 t -116.33 126.04 52.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.811 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -134.74 129.72 35.11 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.07 31.33 19.79 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.544 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 44.2 mt 62.38 26.56 15.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.475 -177.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -136.65 142.33 43.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 172.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.5 t -72.67 126.32 29.6 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.54 ' HG2' HG13 ' A' ' 25' ' ' VAL . 3.5 pt20 . . . . . 0 C--O 1.246 0.873 0 O-C-N 123.888 0.742 . . . . 0.0 112.288 -173.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.2 p . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.4 mt -92.86 130.09 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.222 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.26 152.46 45.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.485 -174.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -56.88 129.73 42.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.526 -1.216 . . . . 0.0 110.526 176.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.24 -12.4 57.14 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.783 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.7 mt -102.32 152.46 38.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 122.586 -0.361 . . . . 0.0 110.934 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 23.6 Cg_exo -63.65 138.86 66.57 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.099 2.533 . . . . 0.0 113.01 -178.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 20' ' ' ASP . 14.0 p -153.53 134.34 13.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.294 176.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 79.9 mtp -100.96 7.34 43.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.838 0.351 . . . . 0.0 111.185 -174.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -152.35 136.1 16.23 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.504 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 7.1 m-70 -53.88 -33.83 57.63 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.643 -174.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -74.04 -15.52 61.07 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -176.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.437 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -68.97 -47.17 66.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.092 0.473 . . . . 0.0 110.049 175.794 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 11.3 t -65.54 133.67 51.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.911 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.3 m -55.43 -27.11 45.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.084 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -86.74 -7.75 57.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.311 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.81 7.03 88.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.562 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.504 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 0.4 OUTLIER -138.73 116.77 12.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.49 0.662 . . . . 0.0 111.376 -177.241 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 67.1 m -110.29 121.49 45.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.823 177.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -120.27 131.18 54.81 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.23 33.29 23.0 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.53 0.519 . . . . 0.0 110.789 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 66.5 mt 62.54 31.66 16.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.46 -177.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -135.0 143.5 46.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.429 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.49 111.56 4.77 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.502 ' HG2' HG13 ' A' ' 25' ' ' VAL . 2.6 pt20 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.958 -1.02 . . . . 0.0 112.495 -169.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 111.806 -0.518 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.44 ' HA ' ' HB3' ' A' ' 8' ' ' CYS . 10.8 mp -76.44 130.56 38.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.497 0.189 . . . . 0.0 110.619 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 mt 58.91 64.69 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.74 0.781 . . . . 0.0 110.551 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -110.57 -26.62 9.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.425 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 t -160.0 82.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.317 -0.624 . . . . 0.0 109.317 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 42.5 mt 60.21 77.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.333 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 -171.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 61.07 -165.68 0.22 Allowed 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.244 -169.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HB3' ' HA ' ' A' ' 2' ' ' LEU . 26.7 p -90.62 153.91 19.97 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 169.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -84.78 120.04 34.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -74.79 161.93 29.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.608 -171.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 36.3 ttpt -49.3 128.79 17.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.931 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.96 -8.19 65.2 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.914 -0.66 . . . . 0.0 113.024 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.2 mt -101.81 151.09 37.88 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 117.056 0.428 . . . . 0.0 110.482 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.567 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 16.1 Cg_exo -67.05 136.89 42.55 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.946 2.43 . . . . 0.0 112.762 -178.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 p -140.75 158.51 43.86 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.649 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -126.19 25.04 6.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.364 0.602 . . . . 0.0 109.814 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.582 ' HG3' ' H ' ' A' ' 19' ' ' SER . 9.2 tp10 -170.98 141.82 1.76 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.2 -0.909 . . . . 0.0 108.908 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -63.94 -29.55 70.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.542 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.582 ' H ' ' HG3' ' A' ' 17' ' ' GLU . 6.3 t -72.8 -17.91 61.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.439 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -71.42 -47.28 56.97 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.244 0.545 . . . . 0.0 110.306 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 14.2 t -67.58 137.06 55.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.742 -177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.3 m -54.55 -36.5 64.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 114.644 -1.162 . . . . 0.0 113.272 -173.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -104.66 18.94 21.32 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 119.858 -0.737 . . . . 0.0 112.261 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.6 15.67 81.08 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.02 -0.61 . . . . 0.0 114.445 167.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.7 p -131.03 113.29 23.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.812 0.815 . . . . 0.0 111.645 178.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.1 t -117.75 111.69 19.44 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.169 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -128.41 138.58 52.4 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -178.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.64 26.77 16.37 Favored 'General case' 0 CA--C 1.521 -0.153 0 O-C-N 123.768 0.667 . . . . 0.0 110.307 -174.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.567 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 58.1 mt 61.27 31.63 19.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.428 -176.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -137.14 139.23 41.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.983 0.42 . . . . 0.0 110.377 174.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 36.6 t -68.51 116.25 8.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.518 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.422 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 19.9 mt-30 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.364 -178.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.416 ' O ' ' HB3' ' A' ' 19' ' ' SER . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.471 -0.651 . . . . 0.0 111.471 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt -83.44 -178.64 7.12 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.776 0.288 . . . . 0.0 110.862 -178.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 55.9 mt 64.83 68.08 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.885 0.85 . . . . 0.0 110.431 178.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.539 ' H ' ' HA ' ' A' ' 20' ' ' ASP . 69.1 mm-40 -115.95 26.0 10.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.122 -0.944 . . . . 0.0 109.425 175.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t -154.74 161.91 41.33 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.838 -1.074 . . . . 0.0 108.342 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 6' ' ' ILE . 2.6 mp -55.16 103.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.321 0 O-C-N 123.668 0.605 . . . . 0.0 110.551 -178.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.406 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . 60.27 29.04 18.67 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.617 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 7' ' ' ALA . 30.3 p 53.58 149.12 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.175 1.39 . . . . 0.0 113.009 -177.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.63 141.52 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.465 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.431 ' HB2' HD23 ' A' ' 13' ' ' LEU . 14.3 mm100 -89.34 166.67 13.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.397 -174.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HG3' ' OXT' ' A' ' 32' ' ' GLN . 25.0 ttpp -57.63 130.96 48.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.408 -0.815 . . . . 0.0 112.119 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.07 -2.85 76.14 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.32 175.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.431 HD23 ' HB2' ' A' ' 10' ' ' GLN . 3.2 mm? -101.45 155.87 35.85 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.951 0.375 . . . . 0.0 110.381 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.608 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 35.6 Cg_exo -62.47 130.37 29.82 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.152 2.568 . . . . 0.0 112.976 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 29' ' ' LEU . 23.2 p -146.25 137.2 24.36 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.471 176.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.2 mtt -105.34 5.2 31.66 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.114 0.483 . . . . 0.0 110.821 -174.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . 36.6 tt0 -158.05 142.36 16.0 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.581 ' O ' ' HA2' ' A' ' 24' ' ' GLY . 13.1 m-70 -61.26 -27.23 68.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.623 -175.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.416 ' HB3' ' O ' ' A' ' 1' ' ' GLY . 4.2 m -68.73 -38.54 80.28 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 -172.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.539 ' HA ' ' H ' ' A' ' 4' ' ' GLU . 0.6 OUTLIER -75.91 -16.06 60.09 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -172.787 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -88.03 146.51 25.44 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.131 0.491 . . . . 0.0 110.727 175.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.5 m -61.89 -30.33 70.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.191 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -91.54 -8.37 47.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.586 -175.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.581 ' HA2' ' O ' ' A' ' 18' ' ' HIS . . . 65.19 20.6 67.36 Favored Glycine 0 N--CA 1.451 -0.302 0 N-CA-C 114.476 0.55 . . . . 0.0 114.476 173.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.515 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 2.9 p -139.07 113.63 7.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 117.799 0.8 . . . . 0.0 111.302 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.1 m -118.25 127.5 53.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.041 -178.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -136.19 133.06 36.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 176.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.55 32.02 21.68 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.571 0.544 . . . . 0.0 110.947 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.608 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 52.4 mt 63.19 27.21 15.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.276 -0.875 . . . . 0.0 111.471 -178.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -132.51 140.19 48.23 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 171.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.4 t -77.75 126.12 30.38 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.479 -0.489 . . . . 0.0 110.314 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.432 ' OXT' ' HG3' ' A' ' 11' ' ' LYS . 20.3 mt-30 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.878 -177.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.596 ' O ' ' HA ' ' A' ' 19' ' ' SER . . . . . . . . 0 N--CA 1.483 1.829 0 N-CA-C 111.59 -0.604 . . . . 0.0 111.59 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 pp -153.94 158.22 40.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.564 0.182 . . . . 0.0 110.825 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 79.4 mt 62.46 79.07 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 123.431 0.457 . . . . 0.0 110.855 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -141.31 -2.0 1.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -138.52 78.2 1.67 Allowed 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.793 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.2 mt 58.51 75.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.443 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 62.95 -156.61 0.33 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.958 -169.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.1 p -103.79 156.85 17.5 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.131 -0.628 . . . . 0.0 110.316 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.1 mt -89.71 130.66 38.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.371 177.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.437 ' HG2' HD12 ' A' ' 13' ' ' LEU . 4.1 pt20 -78.89 163.13 25.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.257 0.551 . . . . 0.0 111.911 -173.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' HG3' ' OXT' ' A' ' 32' ' ' GLN . 45.4 tttm -51.09 131.56 27.4 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.728 -1.124 . . . . 0.0 112.033 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.62 -6.18 67.54 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.976 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.437 HD12 ' HG2' ' A' ' 10' ' ' GLN . 56.1 mt -104.47 150.85 38.95 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.848 0.324 . . . . 0.0 110.646 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.534 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 33.9 Cg_exo -62.37 142.83 92.37 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.109 2.539 . . . . 0.0 113.383 -178.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.1 p -138.95 155.3 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.517 175.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 59.8 mtt -116.98 -13.83 10.62 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.27 0.557 . . . . 0.0 110.305 178.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -136.28 146.93 47.22 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -55.72 -39.38 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.543 0.211 . . . . 0.0 111.14 178.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.596 ' HA ' ' O ' ' A' ' 1' ' ' GLY . 20.3 m -64.46 -15.47 60.76 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -178.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -67.45 -47.26 70.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.125 0.488 . . . . 0.0 109.969 176.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.7 t -69.78 140.35 53.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.36 -174.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.8 m -58.73 -32.2 68.99 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.686 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.418 HH21 ' C ' ' A' ' 32' ' ' GLN . 48.7 mtm180 -94.12 1.53 56.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.353 178.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.06 6.08 81.92 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.982 -0.627 . . . . 0.0 112.711 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.6 t -112.87 115.35 49.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.136 0.494 . . . . 0.0 110.82 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.5 t -115.21 112.97 23.29 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -127.41 131.69 50.24 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.49 25.96 15.58 Favored 'General case' 0 C--N 1.332 -0.19 0 O-C-N 123.851 0.719 . . . . 0.0 110.208 -174.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.534 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 46.7 mt 60.53 34.73 20.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.962 -174.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -133.78 138.65 45.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.104 172.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.8 t -68.39 125.17 25.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.469 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.442 ' OXT' ' HG3' ' A' ' 11' ' ' LYS . 14.3 mt-30 . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.432 177.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 112.177 -0.369 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.552 ' H ' ' CD1' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -89.2 136.69 32.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.935 0.398 . . . . 0.0 110.182 179.189 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.401 ' HB ' ' H ' ' A' ' 4' ' ' GLU . 15.4 mm -119.11 -93.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.42 ' HB2' ' HA ' ' A' ' 20' ' ' ASP . 38.3 mm-40 -97.51 0.46 47.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.619 0.723 . . . . 0.0 109.26 175.264 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.4 m -155.08 155.44 34.07 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.853 -1.067 . . . . 0.0 108.885 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.44 ' H ' HD12 ' A' ' 6' ' ' ILE . 3.2 mp -63.72 118.4 5.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 58.95 26.53 15.11 Favored 'General case' 0 N--CA 1.464 0.247 0 O-C-N 123.688 0.617 . . . . 0.0 110.967 -175.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p 50.4 -174.6 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.574 1.172 . . . . 0.0 112.648 177.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.2 mt -99.56 142.63 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.416 173.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.403 HE21 ' HB2' ' A' ' 10' ' ' GLN . 1.6 mp0 -88.93 168.09 12.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.045 0.45 . . . . 0.0 111.784 -176.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HD3' HH22 ' A' ' 23' ' ' ARG . 23.1 ttpp -51.09 141.08 14.79 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.243 178.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 81.47 -3.75 76.55 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.974 -0.631 . . . . 0.0 113.308 171.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 56.6 mt -101.12 152.48 37.91 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.587 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 31.0 Cg_exo -62.1 131.51 34.97 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.023 2.482 . . . . 0.0 113.171 -177.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 p -138.65 161.69 36.49 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.312 -0.858 . . . . 0.0 108.999 175.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.9 mtt -120.83 -21.38 6.63 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.997 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -130.44 149.72 51.98 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 177.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.442 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 8.7 m-70 -54.48 -41.94 70.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.66 0.266 . . . . 0.0 111.482 -178.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.1 m -66.16 -14.02 61.15 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -177.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.42 ' HA ' ' HB2' ' A' ' 4' ' ' GLU . 73.1 m-20 -59.03 -36.95 75.86 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.157 0.503 . . . . 0.0 110.284 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.7 t -100.81 145.63 28.3 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.737 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 58.8 m -58.24 -28.07 64.54 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.083 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.426 HH22 ' HD3' ' A' ' 11' ' ' LYS . 51.1 mtm-85 -80.84 -6.46 58.62 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.545 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 18' ' ' HIS . . . 67.06 23.91 73.05 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.155 -0.545 . . . . 0.0 113.106 176.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.442 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 3.1 p -135.29 114.28 16.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.665 0.745 . . . . 0.0 111.164 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.0 t -118.42 117.38 28.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.453 177.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -126.62 132.73 51.19 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.66 28.25 17.96 Favored 'General case' 0 C--O 1.232 0.162 0 O-C-N 123.581 0.55 . . . . 0.0 110.927 -176.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.587 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 51.0 mt 62.41 31.42 17.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.166 -177.409 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -138.02 140.77 40.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.344 172.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 35.5 t -71.37 133.09 45.71 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.948 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 . . . . . 0 C--O 1.249 1.065 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.736 177.491 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.408 ' C ' HD12 ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.74 -0.544 . . . . 0.0 111.74 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.408 HD12 ' C ' ' A' ' 1' ' ' GLY . 6.4 mp -131.7 167.71 19.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 35.1 mm 60.92 86.76 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 O-C-N 123.788 0.68 . . . . 0.0 111.457 174.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.64 -60.94 1.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.205 0.526 . . . . 0.0 110.185 178.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -101.34 57.56 0.85 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.784 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.1 mt 66.11 99.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.823 -176.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 64.71 178.21 0.18 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.078 -173.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.3 p -100.26 150.21 22.79 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.433 176.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.8 mt -85.7 144.0 10.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.252 -174.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.43 ' H ' ' NE2' ' A' ' 10' ' ' GLN . 1.8 mp0 -76.67 159.27 30.37 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.441 -175.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -64.09 129.32 39.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.328 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.51 -8.15 66.32 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 121.151 -0.547 . . . . 0.0 113.377 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -98.29 156.82 35.38 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.873 0.337 . . . . 0.0 110.854 -176.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 37.0 Cg_exo -61.18 133.21 45.48 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 123.203 2.602 . . . . 0.0 113.468 -178.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.8 p -136.74 172.29 13.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.249 178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 64.3 mtt -133.45 -31.5 1.22 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.995 -0.282 . . . . 0.0 111.416 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -123.04 151.89 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 177.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -59.92 -27.9 67.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.619 0.247 . . . . 0.0 111.385 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m -71.31 -17.02 62.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.623 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -66.33 -47.48 73.35 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-O 120.891 0.377 . . . . 0.0 110.269 179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.5 m -79.62 138.35 37.39 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.476 -173.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.4 m -56.06 -35.52 67.04 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.699 179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 23' ' ' ARG . 12.8 ptm180 -88.36 10.62 19.28 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.581 -179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.83 4.76 49.05 Favored Glycine 0 CA--C 1.521 0.418 0 N-CA-C 114.714 0.645 . . . . 0.0 114.714 171.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.427 ' HB ' ' HG2' ' A' ' 32' ' ' GLN . 61.3 t -124.02 120.01 58.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 117.774 0.787 . . . . 0.0 111.863 -179.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.0 t -115.24 125.26 53.13 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 175.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -132.75 127.68 35.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.714 -0.106 . . . . 0.0 110.714 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.17 33.04 22.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.142 0.496 . . . . 0.0 111.0 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 49.0 mt 63.3 27.05 15.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.137 -0.938 . . . . 0.0 111.341 -178.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -137.93 134.54 35.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.081 173.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 82.4 m -66.03 117.06 7.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.048 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 2.5 pt20 . . . . . 0 C--O 1.244 0.802 0 O-C-N 123.962 0.789 . . . . 0.0 112.482 -174.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.401 ' O ' ' HA ' ' A' ' 19' ' ' SER . . . . . . . . 0 N--CA 1.482 1.728 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.489 ' HA ' ' O ' ' A' ' 19' ' ' SER . 1.9 pt? -159.21 173.95 15.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.737 0.269 . . . . 0.0 110.99 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 57.2 mt 67.54 63.11 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.908 0.861 . . . . 0.0 110.314 178.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -125.82 19.86 7.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.802 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 t -165.56 80.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.988 -178.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.5 mt 51.08 81.26 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.716 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 54.42 31.67 15.08 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.591 -178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 65.05 158.13 0.1 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.644 -178.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.6 mt -90.32 145.73 7.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.716 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -77.09 157.08 31.26 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.365 0.602 . . . . 0.0 111.003 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' HA ' ' SG ' ' A' ' 31' ' ' CYS . 39.3 ttpt -63.22 134.31 55.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.028 -178.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.29 -3.55 72.68 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.916 -0.659 . . . . 0.0 113.04 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 55.8 mt -104.3 156.56 35.62 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 116.878 0.339 . . . . 0.0 110.836 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.514 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 32.4 Cg_exo -59.56 135.84 67.19 Favored 'Trans proline' 0 C--N 1.35 0.64 0 C-N-CA 123.165 2.577 . . . . 0.0 113.272 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.3 p -147.28 169.48 19.32 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.137 -0.938 . . . . 0.0 108.81 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 53.8 ttp -122.4 -26.11 4.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.379 179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -125.83 152.43 45.49 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -58.01 -43.26 86.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.701 0.286 . . . . 0.0 111.225 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.489 ' O ' ' HA ' ' A' ' 2' ' ' LEU . 14.8 p -68.36 -14.51 63.05 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -176.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -59.47 -35.41 74.03 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.106 0.479 . . . . 0.0 110.7 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.4 t -102.54 146.35 28.27 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.38 -175.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 2' ' ' LEU . 32.6 m -62.16 -19.78 63.43 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 176.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.547 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 20.7 mmm180 -71.9 -18.02 62.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.183 176.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.89 7.0 69.06 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 121.381 -0.438 . . . . 0.0 112.826 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 p -136.15 114.89 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.545 0.688 . . . . 0.0 111.47 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.7 t -118.0 118.18 31.24 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.51 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -133.84 138.02 45.39 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.83 28.22 17.66 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 123.512 0.508 . . . . 0.0 110.821 -175.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.514 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 55.8 mt 65.03 22.41 12.39 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.83 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -133.87 137.11 44.79 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.948 0.404 . . . . 0.0 110.106 174.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 36.4 t -70.92 128.41 35.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.332 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.689 -0.672 . . . . 0.0 111.045 -176.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.908 -0.477 . . . . 0.0 111.908 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.419 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 85.2 mt -112.66 178.72 4.19 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.419 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 71.7 mt 74.9 112.22 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 O-C-N 123.676 0.61 . . . . 0.0 111.076 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.19 -29.14 15.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.474 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.4 t -168.89 91.29 0.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.64 -0.255 . . . . 0.0 110.824 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.9 mt 61.71 97.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.07 178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 68.12 140.36 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.337 -175.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 p -76.14 159.86 30.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.073 178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.7 mt -77.46 128.24 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.708 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.106 -178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -72.11 157.55 37.55 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.54 -172.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -53.88 130.15 36.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.021 177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 94.77 -6.2 69.97 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.944 -0.646 . . . . 0.0 113.073 176.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.9 mt -101.02 152.28 37.83 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.787 0.294 . . . . 0.0 110.675 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 25.4 Cg_exo -63.45 132.9 37.62 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 123.164 2.576 . . . . 0.0 113.142 -178.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.3 p -141.63 168.56 19.48 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.19 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -122.84 -28.67 4.09 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.563 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -127.24 159.23 34.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.251 -0.28 . . . . 0.0 110.389 -176.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -52.45 -49.68 64.15 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.919 0.39 . . . . 0.0 111.065 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.9 p -60.73 -23.37 64.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.637 -175.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -62.75 -47.79 81.99 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.446 0.641 . . . . 0.0 110.151 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 6.2 t -79.7 136.18 36.72 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.219 -172.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 80.8 m -56.73 -26.31 56.73 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.112 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.567 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 19.1 mmm180 -78.43 -17.06 56.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.53 5.0 85.19 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.755 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.475 HG13 ' HG2' ' A' ' 32' ' ' GLN . 0.2 OUTLIER -140.91 121.31 13.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 121.153 0.501 . . . . 0.0 110.494 -178.702 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.4 t -112.29 112.6 24.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.796 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -120.21 131.72 55.08 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.383 -175.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.63 29.79 19.26 Favored 'General case' 0 CA--C 1.52 -0.175 0 O-C-N 123.641 0.588 . . . . 0.0 110.606 -176.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 51.0 mt 61.34 28.22 17.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.14 -0.936 . . . . 0.0 111.444 -177.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -132.65 139.22 47.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.151 173.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.6 t -67.59 116.59 8.48 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HG2' HG13 ' A' ' 25' ' ' VAL . 2.3 pt20 . . . . . 0 C--O 1.252 1.228 0 CA-C-O 117.99 -1.005 . . . . 0.0 112.03 -171.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 112.015 -0.434 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.456 ' O ' ' HB ' ' A' ' 3' ' ' ILE . 21.4 tp -160.56 168.11 25.7 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.456 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 34.1 mm 74.61 103.52 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 CA-C-O 121.28 0.562 . . . . 0.0 111.558 176.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -128.48 21.17 6.1 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 t -172.97 162.86 4.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.543 -1.208 . . . . 0.0 107.99 -176.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.4 mt -63.2 115.73 2.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 60.46 40.81 16.73 Favored 'General case' 0 C--N 1.334 -0.091 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.551 -174.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.3 p 53.19 -179.74 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.835 -178.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -91.78 134.62 29.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -74.32 153.97 39.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.339 0.59 . . . . 0.0 111.799 -175.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -63.29 133.15 53.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.813 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.76 -7.79 63.31 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.245 -177.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.7 mt -102.46 157.74 33.12 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.574 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 25.4 Cg_exo -63.81 133.87 41.03 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.966 2.444 . . . . 0.0 113.109 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 9.6 p -149.13 139.64 22.51 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.194 177.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 81.5 mtp -98.71 -11.38 22.01 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.62 -173.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.44 149.08 40.53 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.494 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 28.9 m-70 -51.68 -45.43 63.46 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 122.677 0.391 . . . . 0.0 111.579 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 2' ' ' LEU . 77.6 p -65.08 -15.38 62.3 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -174.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -65.22 -33.74 76.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.173 0.511 . . . . 0.0 110.653 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -105.89 143.86 33.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.211 -176.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 96.8 m -61.38 -22.42 64.96 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.34 177.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.683 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 16.2 mmm180 -71.75 -17.48 62.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.148 176.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.6 9.65 59.09 Favored Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 113.431 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.494 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 2.7 p -137.73 114.38 11.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-O 121.695 0.76 . . . . 0.0 111.252 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 69.3 m -118.1 123.11 44.81 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.993 -1.003 . . . . 0.0 110.394 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -131.0 138.9 49.89 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 175.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.61 28.35 18.04 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 123.74 0.65 . . . . 0.0 110.584 -176.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 52.1 mt 63.54 28.34 15.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.234 -177.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -133.45 140.05 47.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.11 173.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.683 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 40.4 t -75.6 128.9 36.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 177.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.244 0.793 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.501 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.17 -0.372 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.5 mt -112.0 175.96 5.22 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 64.7 mt 67.61 81.31 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.451 0.643 . . . . 0.0 110.192 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -95.74 5.41 51.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.52 178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 t -147.19 163.97 34.66 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.3 mp -57.49 110.48 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 O-C-N 123.348 0.405 . . . . 0.0 110.44 -178.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 61.53 25.33 15.27 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.46 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 64.35 178.23 0.18 Allowed 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.328 176.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.438 ' HB ' ' SG ' ' A' ' 31' ' ' CYS . 11.3 mt -92.05 130.92 40.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.23 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -74.03 161.59 29.9 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.631 -176.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -57.15 127.34 31.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.0 -1.0 . . . . 0.0 111.665 -178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.17 -2.02 63.19 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.855 -0.688 . . . . 0.0 113.442 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -101.68 151.3 37.87 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 117.241 0.52 . . . . 0.0 110.28 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.591 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 16.4 Cg_exo -67.43 143.43 63.4 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.018 2.479 . . . . 0.0 113.101 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 p -127.47 175.58 8.12 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.113 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 63.8 mtt -130.39 -4.98 4.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.841 0.353 . . . . 0.0 110.511 171.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -152.09 151.07 30.62 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -60.51 -36.14 77.65 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.763 0.316 . . . . 0.0 111.536 -178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.6 p -65.31 -14.93 61.92 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -179.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.434 ' HB3' HD12 ' A' ' 9' ' ' ILE . 48.1 m-20 -59.95 -43.28 95.1 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.965 0.412 . . . . 0.0 110.842 178.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 7.0 m -83.35 146.25 28.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.641 -175.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 44.4 m -55.65 -40.84 72.76 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.422 HH21 ' NE2' ' A' ' 32' ' ' GLN . 15.4 mtm180 -83.14 -0.22 48.24 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.614 -177.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.3 4.74 69.81 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 121.022 -0.608 . . . . 0.0 113.099 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.471 HG13 ' HG2' ' A' ' 32' ' ' GLN . 2.0 p -117.73 115.5 48.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.597 0.713 . . . . 0.0 111.144 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.5 t -117.26 140.67 49.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.763 174.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -129.84 124.28 32.91 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 121.027 -0.269 . . . . 0.0 110.666 -177.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.97 38.76 24.18 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.0 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.591 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 54.4 mt 57.85 30.19 18.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.129 -0.942 . . . . 0.0 111.63 -177.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -134.55 130.24 36.26 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 171.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.438 ' SG ' ' HB ' ' A' ' 9' ' ' ILE . 90.9 m -61.9 121.54 13.2 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 178.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.471 ' HG2' HG13 ' A' ' 25' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.121 -0.942 . . . . 0.0 111.595 -176.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 112.026 -0.43 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.0 mp 67.74 176.46 0.25 Allowed 'General case' 0 C--O 1.233 0.196 0 C-N-CA 123.236 0.614 . . . . 0.0 111.489 178.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp 58.91 76.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.972 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -153.99 -52.1 0.1 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.38 -176.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -149.92 116.12 5.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.29 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.5 mt 55.83 51.53 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 121.311 0.577 . . . . 0.0 109.594 -178.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 70.22 -44.45 0.57 Allowed 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.06 -0.973 . . . . 0.0 111.373 -174.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.0 p 176.47 160.76 0.35 Allowed 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.985 0.914 . . . . 0.0 109.026 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 21' ' ' CYS . 22.3 mt -86.29 117.24 30.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 176.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.427 HE21 ' HB2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -83.17 165.67 19.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.229 0.538 . . . . 0.0 112.333 -169.494 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 39.3 ttmt -47.94 128.31 13.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.687 -1.142 . . . . 0.0 113.033 -176.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 98.8 -13.72 62.15 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 115.737 -0.665 . . . . 0.0 112.999 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 81.0 mt -98.01 151.48 37.57 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.839 0.319 . . . . 0.0 110.67 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.579 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 23.5 Cg_exo -63.91 136.44 52.91 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.986 2.457 . . . . 0.0 112.975 -178.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.4 p -150.83 131.41 13.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.715 176.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 60.2 mtm -95.3 -10.55 29.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.978 0.418 . . . . 0.0 110.776 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HG3' ' H ' ' A' ' 19' ' ' SER . 8.8 tp10 -134.77 140.21 45.74 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 177.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -63.59 -27.55 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.21 -174.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.498 ' H ' ' HG3' ' A' ' 17' ' ' GLU . 16.0 m -63.44 -38.06 89.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.566 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.423 ' OD1' ' HB3' ' A' ' 17' ' ' GLU . 4.4 m-20 -60.87 -45.55 94.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.105 0.479 . . . . 0.0 110.963 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 5.9 t -62.47 129.79 42.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.731 -176.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 64.0 m -56.67 -30.86 63.85 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.916 176.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.71 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 18.9 mmm180 -80.4 -16.81 53.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.96 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.17 4.96 89.86 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.437 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 p -133.9 116.81 24.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.497 0.665 . . . . 0.0 111.221 -177.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 84.9 m -113.76 112.76 23.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.035 178.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -123.53 132.36 53.88 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.5 30.58 19.87 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.675 0.609 . . . . 0.0 110.451 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.579 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 70.1 mt 64.16 28.45 14.08 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.639 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -131.36 141.63 49.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.908 0.385 . . . . 0.0 110.818 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.6 t -69.38 116.16 9.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.53 177.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.445 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 25.2 mm-40 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.785 -172.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.903 0 N-CA-C 111.816 -0.514 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -130.39 30.16 4.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.156 0.503 . . . . 0.0 110.584 179.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.742 ' O ' ' HA ' ' A' ' 8' ' ' CYS . 12.9 pt -128.83 170.99 17.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.414 179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -100.47 15.75 26.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.805 -173.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.3 p -147.92 131.97 17.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.429 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.1 mt 67.53 -79.23 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 O-C-N 123.597 0.561 . . . . 0.0 110.667 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.3 60.79 5.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.414 0.626 . . . . 0.0 110.254 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.742 ' HA ' ' O ' ' A' ' 3' ' ' ILE . 5.3 p -64.99 170.26 4.52 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.931 -1.032 . . . . 0.0 111.204 -178.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.3 mt -86.89 119.77 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 176.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -77.38 163.82 26.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.583 0.706 . . . . 0.0 112.171 -170.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 23.4 ttpp -48.31 127.85 13.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.238 -1.347 . . . . 0.0 111.552 175.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.56 -2.15 57.27 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.202 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 73.6 mt -116.8 154.47 49.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 117.046 0.423 . . . . 0.0 111.041 -179.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 13' ' ' LEU . 15.8 Cg_exo -66.7 137.03 44.34 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 123.104 2.536 . . . . 0.0 113.353 -177.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 20' ' ' ASP . 10.9 p -146.29 132.71 19.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.43 176.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 77.1 mtp -92.35 -23.92 19.08 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.565 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -123.58 140.89 52.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -53.46 -30.44 40.81 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.709 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.8 m -62.68 -30.47 71.42 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.431 0.457 . . . . 0.0 111.831 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.456 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 49.3 m-20 -67.65 -39.47 84.6 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.916 0.389 . . . . 0.0 110.849 -176.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.5 t -66.45 133.16 49.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.842 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.8 m -55.51 -28.98 57.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.288 -0.869 . . . . 0.0 112.603 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.5 HH21 ' C ' ' A' ' 32' ' ' GLN . 41.5 mtm180 -95.79 0.08 51.86 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.631 -0.427 . . . . 0.0 111.271 178.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.51 10.78 85.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.257 -0.497 . . . . 0.0 113.262 175.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.648 HG13 ' HG2' ' A' ' 32' ' ' GLN . 1.3 p -132.18 116.67 30.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-O 121.627 0.727 . . . . 0.0 111.619 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 94.7 m -114.9 122.3 45.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.054 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -126.5 132.02 51.49 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 176.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.66 26.93 16.65 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.319 0.58 . . . . 0.0 110.184 -172.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 52.0 mt 64.2 31.35 13.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.396 -177.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.4 m-85 -129.46 140.32 51.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.256 173.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 54.1 t -69.13 112.26 5.62 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 175.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.648 ' HG2' HG13 ' A' ' 25' ' ' VAL . 2.3 pt20 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.31 -0.852 . . . . 0.0 111.188 -172.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 112.18 -0.368 . . . . 0.0 112.18 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.412 HD22 HG12 ' A' ' 9' ' ' ILE . 96.2 mt -137.32 59.33 1.68 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 0.0 109.982 179.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.8 pt -125.89 145.59 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.284 -176.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.435 ' HG3' ' HA ' ' A' ' 22' ' ' CYS . 31.2 tt0 -53.89 94.87 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 123.314 0.646 . . . . 0.0 110.899 177.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 p -168.42 -84.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.62 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 57.4 mt -128.16 -50.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 171.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.26 72.39 8.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.048 175.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 p -106.8 -177.31 3.33 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.883 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.412 HG12 HD22 ' A' ' 2' ' ' LEU . 16.6 mt -95.21 135.29 29.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 172.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -87.04 165.96 15.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.962 -174.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -52.35 133.16 34.88 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.149 -0.932 . . . . 0.0 112.083 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 92.11 -9.25 76.81 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.662 -0.699 . . . . 0.0 113.242 173.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 79.6 mt -99.93 152.29 37.77 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.749 0.275 . . . . 0.0 110.825 -176.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.599 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 19.6 Cg_exo -65.65 138.1 52.69 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.07 2.513 . . . . 0.0 113.087 -179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.2 p -124.28 176.52 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.389 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -122.12 -9.15 8.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.803 0.335 . . . . 0.0 110.197 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -162.01 156.41 22.18 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.951 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -58.73 -38.32 78.1 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 120.927 0.394 . . . . 0.0 111.337 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.8 p -64.41 -13.13 49.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.611 -0.722 . . . . 0.0 112.915 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -72.24 -32.07 66.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.341 0.591 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.5 m -95.13 137.87 33.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.657 -173.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.435 ' HA ' ' HG3' ' A' ' 4' ' ' GLU . 12.3 m -58.02 -32.34 67.85 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.895 0.379 . . . . 0.0 111.747 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -77.9 -5.17 50.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.157 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.48 4.05 43.2 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 116.248 -0.433 . . . . 0.0 114.04 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -128.86 115.2 35.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.834 0.826 . . . . 0.0 111.193 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 12.8 t -118.68 130.09 55.64 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.341 175.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.404 ' OE2' ' HG3' ' A' ' 32' ' ' GLN . 42.9 mt-10 -127.67 128.14 44.94 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 60.95 35.98 18.9 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.663 0.602 . . . . 0.0 110.841 -176.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.599 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 58.7 mt 59.12 30.03 19.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.475 -177.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -128.79 128.74 44.56 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 171.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 71.0 m -63.45 123.41 18.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.327 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.404 ' HG3' ' OE2' ' A' ' 27' ' ' GLU . 29.4 mm-40 . . . . . 0 C--O 1.246 0.885 0 CA-C-O 118.616 -0.707 . . . . 0.0 109.923 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.813 -0.515 . . . . 0.0 111.813 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.59 ' HG ' ' H ' ' A' ' 7' ' ' ALA . 6.9 mp 57.76 52.69 7.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.881 178.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 mt -65.88 -73.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.169 -176.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -93.7 -62.1 1.42 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 p -103.95 170.22 8.05 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.962 176.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.432 ' H ' HD12 ' A' ' 6' ' ' ILE . 3.3 mp -64.25 120.76 11.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 177.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.59 ' H ' ' HG ' ' A' ' 2' ' ' LEU . . . 65.74 25.26 11.44 Favored 'General case' 0 N--CA 1.462 0.148 0 O-C-N 123.766 0.666 . . . . 0.0 111.358 -178.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.3 p 57.85 176.52 0.05 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.346 1.058 . . . . 0.0 112.176 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.7 mt -89.22 140.25 16.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.751 174.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -82.2 163.09 22.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.381 0.61 . . . . 0.0 111.962 -176.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.2 ttpp -61.08 135.42 57.76 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.195 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.9 -2.35 87.77 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.963 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.3 mt -100.97 153.69 37.58 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 122.634 -0.333 . . . . 0.0 110.325 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.586 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 31.2 Cg_exo -59.95 135.41 62.86 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.121 2.548 . . . . 0.0 113.212 -178.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.1 p -140.99 159.06 43.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.57 176.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -115.76 -26.95 7.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.789 0.328 . . . . 0.0 110.521 177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HB3' ' OD1' ' A' ' 20' ' ' ASP . 9.0 tp10 -124.95 154.61 40.91 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.7 m-70 -59.19 -44.32 92.21 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.846 0.355 . . . . 0.0 111.076 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -65.14 -14.71 61.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.447 -176.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.44 ' OD1' ' HB3' ' A' ' 17' ' ' GLU . 39.1 m-20 -59.14 -35.34 73.33 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.27 0.557 . . . . 0.0 110.639 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.1 t -105.27 144.54 31.91 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.199 -175.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.2 m -58.48 -21.35 51.37 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.533 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.405 ' HD3' ' SG ' ' A' ' 31' ' ' CYS . 74.3 mtp85 -84.44 -10.74 57.23 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.61 14.99 63.47 Favored Glycine 0 C--N 1.332 0.337 0 CA-C-N 116.048 -0.523 . . . . 0.0 114.115 174.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 p -134.35 115.66 20.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.605 0.717 . . . . 0.0 111.437 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.0 t -117.68 120.26 37.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.799 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -136.26 136.42 39.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.6 26.42 16.12 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.528 -174.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 56.7 mt 61.6 28.21 17.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.154 -0.93 . . . . 0.0 111.503 -177.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -133.33 139.78 47.05 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 172.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.405 ' SG ' ' HD3' ' A' ' 23' ' ' ARG . 42.9 t -67.54 119.75 12.84 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.13 179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.856 178.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.859 0 N-CA-C 112.072 -0.411 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.441 ' H ' ' HG ' ' A' ' 2' ' ' LEU . 1.3 pp -84.29 176.26 8.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.471 0.177 . . . . 0.0 111.43 -177.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' A' ' 2' ' ' LEU . 76.1 mt 71.91 80.37 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 O-C-N 123.705 0.628 . . . . 0.0 109.662 -174.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -125.19 -12.88 6.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.542 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 m -132.77 70.87 1.46 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.781 -177.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 50.7 mt 58.08 83.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.289 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 65.84 178.3 0.21 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.388 -175.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.4 p -92.24 141.27 28.75 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.088 175.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.4 mt -82.76 140.33 16.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.525 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.647 ' HA ' HE21 ' A' ' 10' ' ' GLN . 0.0 OUTLIER -87.42 166.7 14.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.118 0.485 . . . . 0.0 111.645 -173.395 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -54.38 132.96 45.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.795 -178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 96.67 -12.8 65.94 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.958 -0.639 . . . . 0.0 113.167 175.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -99.86 151.27 37.43 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 117.009 0.405 . . . . 0.0 110.389 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 27.4 Cg_exo -62.83 137.13 61.27 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.236 2.624 . . . . 0.0 113.659 -176.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.4 p -140.08 161.49 37.49 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.242 175.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 62.2 mtt -125.2 -23.26 4.21 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.781 0.324 . . . . 0.0 111.088 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -123.82 147.26 47.74 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 174.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.414 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 15.8 m-70 -59.97 -29.18 68.26 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.669 0.271 . . . . 0.0 110.944 -178.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.5 m -65.18 -27.56 68.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.416 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -65.2 -47.61 76.29 Favored 'General case' 0 CA--C 1.516 -0.364 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.727 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 14.6 t -72.39 126.75 30.61 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.693 -177.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -17.22 64.37 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.948 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.727 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 19.7 mmm180 -81.59 -14.88 56.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.784 177.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.53 3.93 90.11 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.248 -0.501 . . . . 0.0 112.277 -179.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 1.8 p -132.68 115.03 23.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.729 0.776 . . . . 0.0 110.771 -178.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -116.62 112.91 21.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.319 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -130.03 140.55 50.85 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.66 27.55 14.44 Favored 'General case' 0 C--N 1.331 -0.208 0 O-C-N 123.719 0.637 . . . . 0.0 110.536 -174.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 49.7 mt 62.62 28.31 16.57 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.137 -178.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -132.84 142.45 48.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.163 0.506 . . . . 0.0 110.945 175.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 52.5 t -72.91 119.77 17.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.053 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.551 -0.738 . . . . 0.0 111.241 -177.217 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 112.147 -0.381 . . . . 0.0 112.147 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.422 ' C ' ' HB3' ' A' ' 8' ' ' CYS . 9.9 mp 51.83 50.71 18.07 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 122.635 0.374 . . . . 0.0 111.449 -179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 tt -162.24 137.44 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.203 0.525 . . . . 0.0 111.446 -178.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -168.41 -67.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 174.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 p -96.8 -167.86 1.62 Allowed 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.843 171.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 6' ' ' ILE . 2.7 mp -62.15 117.66 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 177.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.25 58.29 3.98 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.663 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' HB3' ' C ' ' A' ' 2' ' ' LEU . 8.2 p 49.17 170.33 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.728 1.211 . . . . 0.0 113.733 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.5 mt -89.59 131.36 37.06 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.345 174.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -69.33 152.27 45.18 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.541 0.686 . . . . 0.0 111.464 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' A' ' 11' ' ' LYS . 4.1 ttpm? -58.47 136.57 57.54 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.658 -1.156 . . . . 0.0 110.944 178.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 93.58 -5.02 73.51 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.839 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.9 mt -103.38 158.51 31.67 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.697 0.249 . . . . 0.0 110.515 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.494 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 39.6 Cg_exo -61.98 135.24 54.14 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.864 2.376 . . . . 0.0 112.922 178.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 p -139.75 165.64 26.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.264 178.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 51.3 mtt -117.38 -35.06 4.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.773 0.32 . . . . 0.0 110.555 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -121.72 159.07 27.36 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 42.0 m-70 -60.88 -43.87 97.85 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.833 0.349 . . . . 0.0 110.562 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 p -64.36 -15.56 60.64 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -177.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -62.15 -45.97 91.07 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.289 0.566 . . . . 0.0 111.142 -178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.3 t -88.07 151.49 22.71 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.527 -171.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.415 ' HA ' ' HG ' ' A' ' 2' ' ' LEU . 20.8 m -60.23 -27.51 67.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.568 175.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.695 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 17.6 mmm180 -76.43 -18.28 58.9 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.047 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.9 4.97 68.48 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 121.038 -0.601 . . . . 0.0 113.321 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 p -131.62 115.98 29.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.474 0.654 . . . . 0.0 111.268 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 18.5 t -116.99 129.5 56.07 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.824 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -139.57 130.55 26.31 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.126 0.266 . . . . 0.0 110.46 178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 57.57 33.88 23.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.052 0.453 . . . . 0.0 110.809 -177.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 48.4 mt 64.22 21.73 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.57 -178.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -131.68 139.98 49.2 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.068 0.461 . . . . 0.0 110.195 174.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.695 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 42.6 t -79.13 131.28 36.17 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.193 -177.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 . . . . . 0 C--O 1.251 1.147 0 CA-C-O 118.698 -0.667 . . . . 0.0 111.537 -177.473 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.747 -0.541 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.0 tp -131.1 -62.76 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.685 0.243 . . . . 0.0 110.447 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.417 ' O ' ' HG2' ' A' ' 4' ' ' GLU . 8.4 tp -178.84 -23.6 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.102 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 3' ' ' ILE . 12.5 pt-20 51.49 20.35 1.0 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.52 1.128 . . . . 0.0 113.018 176.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' A' ' 6' ' ' ILE . 43.7 p -161.51 144.52 12.33 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.418 ' HB ' ' O ' ' A' ' 5' ' ' SER . 67.5 mt 70.51 -64.74 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 O-C-N 123.598 0.561 . . . . 0.0 110.193 -175.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.44 68.64 0.86 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.23 0.538 . . . . 0.0 111.01 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.7 p -67.34 163.75 20.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.149 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.5 mt -77.2 128.2 38.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.816 0.341 . . . . 0.0 110.084 -179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -77.37 164.53 25.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.836 -174.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -56.32 135.71 53.62 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.716 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.39 -1.97 86.27 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.916 174.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 66.4 mt -101.89 148.64 35.61 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 32.4 Cg_exo -61.01 126.13 18.8 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.144 2.562 . . . . 0.0 113.233 -176.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.6 p -129.33 162.64 27.49 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.282 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 56.6 mtt -128.93 -6.41 5.0 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.998 0.428 . . . . 0.0 110.803 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -141.01 155.4 46.2 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.439 ' O ' ' HA2' ' A' ' 24' ' ' GLY . 20.5 m-70 -70.87 -37.62 73.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.283 -177.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.7 p -67.94 -36.06 79.48 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -174.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -68.4 -30.22 69.09 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.9 -178.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 11.9 t -72.18 133.61 45.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.214 0.531 . . . . 0.0 109.97 173.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.1 m -55.15 -31.56 61.41 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.098 -0.955 . . . . 0.0 113.222 -175.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 26.3 mtm180 -96.43 3.6 52.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.993 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 18' ' ' HIS . . . 73.11 16.8 78.5 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.913 176.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.479 HG13 ' HB2' ' A' ' 32' ' ' GLN . 2.2 p -135.94 115.65 17.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.707 0.765 . . . . 0.0 111.221 -179.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.6 t -115.73 112.66 22.38 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.64 -178.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -126.86 135.84 51.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.581 -178.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.0 26.25 13.26 Favored 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.764 0.665 . . . . 0.0 110.62 -175.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 49.2 mt 62.97 29.21 16.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.768 -176.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -131.78 134.15 45.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.824 0.345 . . . . 0.0 110.292 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 40.5 t -64.56 118.34 8.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.714 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.479 ' HB2' HG13 ' A' ' 25' ' ' VAL . 26.7 mm-40 . . . . . 0 C--O 1.244 0.777 0 CA-C-O 118.497 -0.763 . . . . 0.0 110.591 -176.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 112.087 -0.405 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 53.65 54.68 9.59 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 123.084 0.554 . . . . 0.0 110.806 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.405 HG21 ' O ' ' A' ' 19' ' ' SER . 23.6 mt -101.52 -67.1 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.087 0.47 . . . . 0.0 109.971 177.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -124.9 -89.53 0.58 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.005 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 p -118.24 131.49 56.36 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 121.151 -0.22 . . . . 0.0 111.189 -175.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.4 mt 53.89 53.65 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.363 0.601 . . . . 0.0 109.48 -178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 71.78 -50.7 0.69 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.752 -1.113 . . . . 0.0 111.506 -176.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.6 p -168.45 153.76 6.55 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.8 mt -79.54 128.08 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.565 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.587 ' HA ' HE21 ' A' ' 10' ' ' GLN . 0.1 OUTLIER -88.58 166.44 14.14 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.914 -169.611 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 22.8 ttmm -49.71 131.1 21.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.122 -0.945 . . . . 0.0 112.464 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.25 -2.35 85.11 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.776 -0.647 . . . . 0.0 113.085 175.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.408 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 85.6 mt -103.94 149.25 37.0 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 116.794 0.297 . . . . 0.0 110.61 -179.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.491 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 21.7 Cg_exo -64.84 134.48 40.54 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.051 2.501 . . . . 0.0 113.291 -176.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 p -137.98 161.26 37.17 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.51 176.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -113.7 -25.67 8.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.339 . . . . 0.0 110.764 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -127.73 153.39 46.58 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -63.83 -31.96 73.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.483 -176.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.405 ' O ' HG21 ' A' ' 3' ' ' ILE . 18.2 m -69.72 -28.69 66.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.633 178.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -59.88 -43.18 94.91 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.582 0.706 . . . . 0.0 109.52 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 23' ' ' ARG . 6.5 t -70.41 127.37 32.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.305 178.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.25 -19.2 62.96 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.164 -179.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.659 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 17.6 mmm180 -85.17 -12.21 53.25 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.943 178.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.13 4.88 90.43 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.312 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 p -134.23 115.43 20.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.625 0.726 . . . . 0.0 111.099 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.5 t -115.8 111.71 20.9 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -125.48 135.98 52.89 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.0 28.15 15.83 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 123.602 0.564 . . . . 0.0 110.397 -172.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.491 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 42.6 mt 61.88 29.33 17.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.66 -177.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -129.72 139.96 51.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.072 0.463 . . . . 0.0 110.521 173.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 53.5 t -71.38 123.36 22.16 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.85 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' A' ' 11' ' ' LYS . 19.9 mt-30 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.674 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.5 ' O ' ' HA ' ' A' ' 19' ' ' SER . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 pp -145.9 159.51 43.12 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.229 -0.285 . . . . 0.0 110.229 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.573 ' HA ' ' O ' ' A' ' 7' ' ' ALA . 76.3 mt 66.77 95.48 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.387 0.613 . . . . 0.0 111.51 177.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -130.75 -62.9 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.217 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 p -112.65 117.87 33.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.893 -177.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 20.1 mt 54.56 66.38 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 -177.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.573 ' O ' ' HA ' ' A' ' 3' ' ' ILE . . . 56.64 -103.75 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.965 -171.237 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 p -136.18 147.38 47.64 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 175.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.573 ' HB ' ' SG ' ' A' ' 31' ' ' CYS . 29.7 mt -78.47 131.87 33.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.209 -179.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -76.0 160.8 29.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.183 -177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 31' ' ' CYS . 25.2 ttpp -56.2 132.2 49.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.319 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 97.37 -1.65 60.56 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.7 -0.762 . . . . 0.0 113.476 174.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.0 mt -101.62 149.86 36.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 117.248 0.524 . . . . 0.0 110.664 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.459 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 25.3 Cg_exo -62.98 124.93 14.86 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.037 2.491 . . . . 0.0 112.93 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.6 p -130.46 164.7 24.21 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.498 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 83.5 mtp -134.87 2.61 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.804 0.335 . . . . 0.0 110.65 173.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.55 ' HB3' ' OD2' ' A' ' 20' ' ' ASP . 7.6 tp10 -146.92 144.78 29.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.485 ' HB3' ' O ' ' A' ' 24' ' ' GLY . 19.2 m-70 -71.41 -38.83 71.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.04 -171.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 1' ' ' GLY . 48.8 m -66.49 -20.46 66.05 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -175.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.55 ' OD2' ' HB3' ' A' ' 17' ' ' GLU . 15.5 m-20 -70.2 -31.05 68.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.925 0.393 . . . . 0.0 110.772 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.8 m -85.56 143.09 28.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.903 -178.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -26.6 68.86 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -172.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -94.66 3.95 54.44 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.864 177.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.485 ' O ' ' HB3' ' A' ' 18' ' ' HIS . . . 70.59 19.32 76.34 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.681 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 p -130.26 116.9 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.716 0.77 . . . . 0.0 112.087 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.6 113.31 23.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.811 175.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -128.78 134.86 48.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.603 0.239 . . . . 0.0 110.753 -176.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 59.13 28.16 17.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.51 -175.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 53.4 mt 61.63 29.23 18.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.44 -178.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -136.13 132.85 36.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.823 173.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.573 ' SG ' ' HB ' ' A' ' 9' ' ' ILE . 98.7 m -63.16 124.92 22.4 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.691 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.368 -178.179 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.579 ' O ' ' HA ' ' A' ' 19' ' ' SER . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 112.214 -0.354 . . . . 0.0 112.214 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mp -119.78 146.87 45.27 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.809 -0.23 . . . . 0.0 110.65 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 87.7 mt 70.61 106.51 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 O-C-N 123.801 0.688 . . . . 0.0 111.586 175.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -162.72 -36.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.603 -179.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 t -111.7 77.32 1.03 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 40.9 mt 58.22 82.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -174.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 61.27 -157.31 0.34 Allowed 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 -170.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.5 p -100.87 138.61 37.69 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.659 -0.816 . . . . 0.0 110.394 173.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.2 mt -78.82 144.92 10.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.767 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -83.66 161.32 21.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.296 0.57 . . . . 0.0 111.741 -176.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 32' ' ' GLN . 24.8 ttpp -57.66 131.86 51.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.727 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.84 -13.18 59.27 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.86 -0.685 . . . . 0.0 113.288 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -99.45 155.33 36.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.87 0.335 . . . . 0.0 110.915 -176.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.544 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 36.1 Cg_exo -59.46 140.67 95.24 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.193 2.596 . . . . 0.0 113.446 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 p -147.53 161.19 41.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.151 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 66.0 mtm -119.78 -13.43 9.1 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.228 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -146.38 154.23 41.4 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.483 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 22.6 m-70 -55.02 -47.82 74.21 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -174.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.579 ' HA ' ' O ' ' A' ' 1' ' ' GLY . 59.4 m -64.0 -13.95 50.4 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -174.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -59.15 -43.84 92.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.681 0.277 . . . . 0.0 110.655 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.5 t -90.45 152.44 20.96 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.288 0.566 . . . . 0.0 111.664 -172.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.5 m -63.25 -17.82 62.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.19 176.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -89.92 -14.01 35.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.792 0.329 . . . . 0.0 111.206 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.5 18.52 75.53 Favored Glycine 0 C--N 1.332 0.333 0 C-N-CA 121.164 -0.541 . . . . 0.0 113.151 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.54 HG13 ' HG2' ' A' ' 32' ' ' GLN . 1.6 p -140.17 116.92 9.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.293 0.568 . . . . 0.0 111.214 -177.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.9 t -116.33 126.04 52.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.811 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -134.74 129.72 35.11 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 61.07 31.33 19.79 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.544 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 44.2 mt 62.38 26.56 15.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.475 -177.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -136.65 142.33 43.22 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 172.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.5 t -72.67 126.32 29.6 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.54 ' HG2' HG13 ' A' ' 25' ' ' VAL . 3.5 pt20 . . . . . 0 C--O 1.246 0.873 0 O-C-N 123.888 0.742 . . . . 0.0 112.288 -173.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.465 ' O ' ' HB2' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.943 -0.463 . . . . 0.0 111.943 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.557 ' H ' ' HB3' ' A' ' 19' ' ' SER . 4.6 mm? 73.3 153.58 0.14 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.458 0.703 . . . . 0.0 111.15 -178.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 60.8 mt 67.13 86.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-O 121.662 0.744 . . . . 0.0 111.504 178.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -105.01 1.07 28.28 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 169.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -150.37 163.16 39.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.123 -1.399 . . . . 0.0 107.765 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 61.5 mt -58.59 111.16 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 123.474 0.484 . . . . 0.0 110.275 -178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.412 ' O ' ' SG ' ' A' ' 8' ' ' CYS . . . 59.14 50.54 7.93 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.271 -177.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 7' ' ' ALA . 15.2 p 51.26 172.55 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.804 1.242 . . . . 0.0 113.436 178.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.4 mt -92.86 130.09 42.45 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.222 178.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.26 152.46 45.42 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.006 -0.997 . . . . 0.0 112.485 -174.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp -56.88 129.73 42.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.526 -1.216 . . . . 0.0 110.526 176.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 102.24 -12.4 57.14 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.783 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.7 mt -102.32 152.46 38.3 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 122.586 -0.361 . . . . 0.0 110.934 -177.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.446 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 23.6 Cg_exo -63.65 138.86 66.57 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 123.099 2.533 . . . . 0.0 113.01 -178.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' HB2' ' HB2' ' A' ' 20' ' ' ASP . 14.0 p -153.53 134.34 13.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.294 176.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 79.9 mtp -100.96 7.34 43.61 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.838 0.351 . . . . 0.0 111.185 -174.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -152.35 136.1 16.23 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.504 ' ND1' ' HA ' ' A' ' 25' ' ' VAL . 7.1 m-70 -53.88 -33.83 57.63 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.231 -0.895 . . . . 0.0 112.643 -174.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.557 ' HB3' ' H ' ' A' ' 2' ' ' LEU . 19.3 m -74.04 -15.52 61.07 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -176.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.437 ' HB2' ' HB2' ' A' ' 15' ' ' CYS . 1.0 OUTLIER -68.97 -47.17 66.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.092 0.473 . . . . 0.0 110.049 175.794 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.407 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 11.3 t -65.54 133.67 51.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.911 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 79.3 m -55.43 -27.11 45.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.24 -0.891 . . . . 0.0 112.084 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -86.74 -7.75 57.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.311 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.81 7.03 88.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.562 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.504 ' HA ' ' ND1' ' A' ' 18' ' ' HIS . 0.4 OUTLIER -138.73 116.77 12.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.49 0.662 . . . . 0.0 111.376 -177.241 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 67.1 m -110.29 121.49 45.42 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.823 177.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -120.27 131.18 54.81 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.781 -0.451 . . . . 0.0 109.781 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.23 33.29 23.0 Favored 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.53 0.519 . . . . 0.0 110.789 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' A' ' 14' ' ' PRO . 66.5 mt 62.54 31.66 16.86 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.46 -177.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -135.0 143.5 46.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.429 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.49 111.56 4.77 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 174.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.502 ' HG2' HG13 ' A' ' 25' ' ' VAL . 2.6 pt20 . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.958 -1.02 . . . . 0.0 112.495 -169.235 . . . . . . . . 1 1 . 1 stop_ save_