data_1m36_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 1m36 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.418 HD11 ' O ' ' A' ' 17' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -85.94 96.05 9.68 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-O 120.791 0.329 . . . . 0.0 110.861 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.9 tp -78.01 130.61 36.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.592 -175.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.613 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -75.15 142.67 43.53 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 173.037 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -99.07 4.93 47.17 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.056 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.537 ' HE2' ' HG2' ' A' ' 27' ' ' MET . 25.5 m-85 -107.79 -46.79 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.994 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.613 ' SG ' ' HG2' ' A' ' 15' ' ' LYS . 19.8 p -119.18 -8.83 10.08 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.828 0.347 . . . . 0.0 110.622 177.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.613 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 3.9 mt 62.94 72.29 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.978 176.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.613 ' HG2' ' SG ' ' A' ' 13' ' ' CYS . 7.2 mmtp -123.24 156.25 35.57 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 172.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -96.37 106.4 18.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.19 0.519 . . . . 0.0 111.417 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.418 ' O ' HD11 ' A' ' 7' ' ' LEU . 54.0 mmm -86.22 147.85 25.92 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.704 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -79.7 -37.77 34.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.441 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.07 150.04 41.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.743 0.306 . . . . 0.0 110.873 -178.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -38.17 89.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.339 176.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -48.14 82.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.977 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.417 HG22 ' HE1' ' A' ' 17' ' ' MET . 4.4 mt -65.7 -35.67 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.701 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.0 tp -63.25 -39.85 95.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.306 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -62.03 -43.46 98.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 177.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -63.65 -41.66 98.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.214 0.531 . . . . 0.0 110.382 176.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -63.74 -36.57 84.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.501 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.537 ' HG2' ' HE2' ' A' ' 12' ' ' PHE . 32.4 mtt -67.09 -19.29 65.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.246 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -43.23 33.55 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -45.04 91.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.906 177.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.556 -178.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.888 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 4.1 mm? . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.451 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 38.6 m-85 -89.8 86.13 6.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.743 175.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 16' ' ' TYR . 2.5 tp -83.6 136.17 34.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.821 -176.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -156.33 0.04 OUTLIER 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 121.831 0.824 . . . . 0.0 111.726 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.417 ' HA ' HD21 ' A' ' 14' ' ' LEU . 17.7 mm-40 -137.57 -0.16 2.19 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.77 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.675 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 4.9 m-85 -114.78 -64.51 1.31 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.005 -177.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -90.32 -17.63 27.01 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.631 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 11' ' ' GLU . 4.7 mt 57.42 74.33 0.42 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.269 177.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -128.93 143.68 50.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.296 178.522 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.888 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 37.1 m-85 -80.31 109.28 14.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.962 -177.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.59 ' O ' ' HB3' ' A' ' 7' ' ' LEU . 32.3 mmt -90.62 149.55 22.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.159 178.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -79.01 -25.7 43.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.847 -174.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -136.25 152.78 51.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.194 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -63.42 -41.92 98.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.097 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -37.79 82.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.224 177.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.0 mt -64.74 -49.75 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.999 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.472 HD13 ' HG3' ' A' ' 17' ' ' MET . 49.2 tp -60.17 -36.05 76.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.051 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -43.79 95.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.916 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -78.17 -43.45 28.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -59.09 -38.19 78.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.769 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.2 mtt -59.69 -19.71 51.5 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -35.54 68.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.923 0.392 . . . . 0.0 110.29 176.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.86 -30.58 21.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.133 177.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.675 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 6.9 t . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.038 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.724 HD13 ' HA ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 121.183 0.516 . . . . 0.0 111.087 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.447 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 4.0 m-85 -112.81 85.69 2.22 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.904 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.524 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 14.3 tp -75.45 129.04 36.65 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.553 -172.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 1.4 t -75.78 111.71 11.41 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 171.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.83 18.51 1.57 Allowed 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.866 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.45 ' HE2' ' HG2' ' A' ' 27' ' ' MET . 15.0 m-85 -104.97 -46.69 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.754 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.24 -8.28 13.97 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.054 0.454 . . . . 0.0 110.207 173.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.497 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 8.4 mt 69.15 67.18 0.27 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.881 176.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' C ' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -137.17 125.42 23.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.318 175.403 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.524 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 20.0 m-85 -72.68 116.82 13.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.039 -177.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.475 ' HG3' HD21 ' A' ' 23' ' ' LEU . 17.2 mmt -91.16 141.66 28.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 177.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.724 ' HA ' HD13 ' A' ' 7' ' ' LEU . 1.2 mmtp -88.11 -0.18 56.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.761 -174.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.742 ' HB2' HD11 ' A' ' 22' ' ' ILE . 49.4 m -151.82 143.97 23.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.756 0.312 . . . . 0.0 111.186 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -65.45 -41.17 93.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.5 -26.96 65.72 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.057 0.456 . . . . 0.0 110.712 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.742 HD11 ' HB2' ' A' ' 19' ' ' SER . 5.2 mt -75.44 -38.87 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.88 175.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.475 HD21 ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -66.34 -38.05 86.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.069 176.399 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -62.05 -42.82 99.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.468 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 22' ' ' ILE . 2.4 pt20 -75.56 -26.35 57.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.083 0.468 . . . . 0.0 110.215 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -72.91 -40.56 65.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.654 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.45 ' HG2' ' HE2' ' A' ' 12' ' ' PHE . 78.1 mtp -63.38 -20.31 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.464 -176.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -42.77 67.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.943 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -40.8 73.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.431 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.441 -0.882 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.376 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.455 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 1.1 mm? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.956 0.408 . . . . 0.0 110.054 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.5 ' HB3' HD13 ' A' ' 23' ' ' LEU . 19.3 m-85 -107.87 116.18 31.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.764 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.3 tp -95.87 135.22 37.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.169 -171.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 8.3 t -85.04 147.87 26.45 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 168.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -95.72 -7.39 37.47 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.115 -177.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -107.8 -28.29 9.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.483 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 83.3 m -101.35 -33.71 9.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.165 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.2 mt 62.66 34.79 14.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.712 -173.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.43 143.82 36.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.383 177.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.408 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 31.5 m-85 -88.62 117.7 27.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.182 0.515 . . . . 0.0 111.019 -177.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.0 mmt -82.64 137.59 34.45 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.725 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -79.64 -14.5 58.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.993 -173.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -134.67 152.15 51.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.872 0.368 . . . . 0.0 111.129 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 20' ' ' ARG . 2.3 ttt180 -65.91 -45.8 80.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.31 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -39.29 79.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.357 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.74 -55.19 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.826 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.5 HD13 ' HB3' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -63.69 -34.47 77.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.217 -179.031 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -60.09 -49.1 78.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.2 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -80.12 -24.8 40.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 110.528 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -64.33 -54.33 34.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.672 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.5 mtp -69.57 -12.72 61.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 111.211 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -36.61 40.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.084 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -40.34 20.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.415 177.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.768 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.538 HD22 ' HE2' ' A' ' 18' ' ' LYS . 14.8 mt . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.806 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 79.9 m-85 -84.76 102.8 13.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.499 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 46.3 tp -84.16 122.73 29.25 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.059 -176.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 6.8 t -80.69 112.79 18.39 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 173.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.09 9.28 1.65 Allowed 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.571 -178.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.555 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 22.1 m-85 -99.6 -42.37 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.35 -0.14 . . . . 0.0 111.118 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.8 p -122.04 -6.52 8.94 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.881 0.372 . . . . 0.0 111.142 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 mt 62.99 46.74 4.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.693 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.05 152.13 28.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.317 172.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.499 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 44.6 m-85 -99.84 127.45 46.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.151 0.5 . . . . 0.0 111.639 -176.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.801 ' HG3' HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -100.89 139.62 36.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.83 177.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.538 ' HE2' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -78.82 -31.21 45.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.578 -175.766 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.53 151.89 42.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.003 0.43 . . . . 0.0 111.401 -178.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -61.55 -42.41 98.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.432 HG21 ' N ' ' A' ' 22' ' ' ILE . 12.8 t -61.55 -27.4 68.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.495 HG23 ' HB3' ' A' ' 17' ' ' MET . 96.8 mt -73.17 -52.12 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.806 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -56.4 -44.73 80.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.143 178.327 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -60.6 -48.68 80.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.523 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -75.5 -36.66 60.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.832 0.349 . . . . 0.0 111.229 -177.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -63.44 -40.19 96.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.774 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.6 mtt -62.74 -15.76 54.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.734 -176.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -83.17 -26.61 30.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.743 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -90.93 -27.83 18.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 0.0 110.656 179.404 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.561 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.413 ' HA ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.859 0.361 . . . . 0.0 110.128 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.512 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 97.8 m-85 -83.57 83.32 7.94 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-O 120.966 0.412 . . . . 0.0 110.539 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.9 tp -73.1 126.38 29.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.116 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -37.82 88.74 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.208 178.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.545 ' HA ' HD22 ' A' ' 14' ' ' LEU . 10.3 mt-10 75.31 -7.64 1.73 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.874 0.87 . . . . 0.0 112.886 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.515 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 42.7 m-85 -104.59 -48.51 3.78 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.5 m -89.09 -16.11 32.31 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 167.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.545 HD22 ' HA ' ' A' ' 11' ' ' GLU . 8.4 mt 61.48 45.43 8.38 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.787 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -110.31 146.06 36.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.167 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -87.2 112.01 21.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.3 mmt -88.12 145.37 25.97 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -30.11 23.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.769 -173.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m -123.23 155.6 36.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.8 0.333 . . . . 0.0 111.536 -176.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.512 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -62.64 -46.71 86.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.133 177.075 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.21 -44.82 92.25 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.771 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.9 mt -62.37 -40.31 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.13 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.433 ' HA ' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -66.68 -47.8 71.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.068 0.461 . . . . 0.0 110.358 178.682 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -64.05 -42.41 97.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.268 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -71.74 -25.09 61.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.656 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -67.23 -43.62 81.53 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.0 mtt -61.87 -15.83 45.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.562 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.26 -30.6 48.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.169 176.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.62 -33.61 16.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.214 0.531 . . . . 0.0 109.651 176.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.515 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 5.1 t . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.166 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.478 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 3.1 mm? . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.752 0.31 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.594 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 9.4 m-85 -99.52 139.41 35.22 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.666 ' HG ' ' HE1' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -105.6 120.23 41.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.746 0.308 . . . . 0.0 111.538 -175.23 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -63.75 -39.24 93.79 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.005 177.767 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.453 ' N ' HD22 ' A' ' 9' ' ' LEU . 56.4 mt-10 73.75 -4.95 2.12 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.558 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.647 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 32.0 m-85 -98.42 -48.39 5.05 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 173.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.41 ' HB3' ' HE2' ' A' ' 15' ' ' LYS . 4.5 m -90.5 -18.62 24.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.45 167.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.599 HD21 HD21 ' A' ' 9' ' ' LEU . 4.3 mt 64.72 42.11 4.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 114.394 -1.275 . . . . 0.0 109.859 -174.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -106.27 151.23 25.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.564 -179.553 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.666 ' HE1' ' HG ' ' A' ' 9' ' ' LEU . 2.7 m-30 -96.03 107.98 20.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.587 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.476 ' HE1' ' O ' ' A' ' 8' ' ' TYR . 2.1 mpp? -77.06 147.27 36.8 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.496 174.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -22.4 49.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.864 0.364 . . . . 0.0 110.957 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -143.39 157.6 44.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.368 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -30.88 65.6 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -33.83 76.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.64 174.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mt -68.84 -40.5 81.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.203 176.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.419 ' HB2' ' HE2' ' A' ' 17' ' ' MET . 41.5 tp -60.95 -34.08 74.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 178.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -57.82 -40.14 79.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 26.3 mm-40 -79.28 -37.3 38.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.318 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -57.93 -44.04 86.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.563 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . 1.2 mtt -71.12 -6.59 40.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.729 -175.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.44 -45.17 56.0 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 171.248 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.43 -33.15 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.679 174.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.647 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.792 174.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 110.432 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.465 ' CD2' ' HG3' ' A' ' 20' ' ' ARG . 1.9 m-85 -84.53 94.16 8.51 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 173.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.547 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -93.83 135.29 35.29 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.007 -167.788 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.5 t -74.48 122.73 23.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 170.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.54 -3.95 37.09 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -104.88 -33.18 8.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 110.686 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 84.6 m -96.66 -27.85 14.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.381 177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.547 ' HA ' HD13 ' A' ' 9' ' ' LEU . 5.3 mt 60.24 47.94 8.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.182 -172.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.38 137.78 54.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.043 179.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.401 ' CG ' ' HB2' ' A' ' 7' ' ' LEU . 6.5 m-30 -81.82 104.15 11.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.412 -177.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.423 ' SD ' HD23 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -84.01 144.86 28.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 174.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -27.78 25.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -171.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -126.36 140.05 52.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' HG3' ' CD2' ' A' ' 8' ' ' TYR . 4.1 ttt180 -70.09 -25.91 63.74 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.38 -176.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.45 -42.3 92.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.317 0.58 . . . . 0.0 109.952 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.2 mt -62.83 -44.53 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.248 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.438 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -66.96 -39.01 87.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.017 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -49.37 75.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.837 0.351 . . . . 0.0 110.388 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -60.7 -38.08 83.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.472 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -68.25 -52.7 30.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.389 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.8 mtt -64.21 -23.66 67.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.808 0.337 . . . . 0.0 111.334 -174.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -81.16 -10.36 59.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.431 179.148 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.64 -39.59 6.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.016 176.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.105 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.282 0 CA-C-O 121.184 0.516 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.418 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 17.4 m-85 -109.99 109.98 20.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.689 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.7 tp -88.57 137.97 31.85 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.241 -169.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 t -83.08 132.81 35.1 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 167.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.24 -2.0 26.01 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.567 -177.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -121.04 -37.82 2.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.788 0.328 . . . . 0.0 111.329 -177.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.407 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 78.0 m -91.51 -33.96 14.97 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.095 0.474 . . . . 0.0 109.758 176.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mt 60.02 37.53 21.17 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.241 -1.345 . . . . 0.0 110.098 -174.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.407 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 9.9 mmtp -100.82 153.29 19.6 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.537 -1.21 . . . . 0.0 109.24 174.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -89.95 108.35 19.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.039 0.447 . . . . 0.0 111.541 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.701 ' HG3' HD22 ' A' ' 23' ' ' LEU . 20.4 mmt -79.77 139.35 37.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.619 176.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -34.02 44.09 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -171.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -121.54 145.98 47.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.739 0.304 . . . . 0.0 110.962 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 -60.46 -45.11 94.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.077 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -23.65 66.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.795 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 mt -74.88 -39.64 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.131 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.701 HD22 ' HG3' ' A' ' 17' ' ' MET . 0.2 OUTLIER -66.55 -48.33 70.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.186 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.87 -25.53 67.23 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.726 -179.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -74.28 -42.14 60.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.168 0.509 . . . . 0.0 109.829 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -68.95 -52.07 33.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.503 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -15.96 63.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.915 -171.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -84.71 -16.14 42.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.17 0.51 . . . . 0.0 109.759 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.18 -41.73 10.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.412 176.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.445 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.169 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 7' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.234 0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.348 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.608 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 5.5 m-85 -103.36 100.03 9.9 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.621 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.8 tp -78.55 119.35 21.71 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -63.78 -32.19 73.62 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.325 178.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.439 ' HA ' HD21 ' A' ' 14' ' ' LEU . 33.3 mt-10 70.42 1.34 3.58 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.692 173.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.479 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 61.6 m-85 -112.53 -52.75 2.76 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 m -90.42 -17.64 26.84 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 168.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.439 HD21 ' HA ' ' A' ' 11' ' ' GLU . 4.9 mt 66.37 37.06 4.93 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.548 -1.206 . . . . 0.0 111.313 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.69 156.94 16.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.397 172.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.45 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 51.5 m-85 -106.72 123.58 48.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.942 0.401 . . . . 0.0 110.952 -177.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.77 ' HG3' ' HA ' ' A' ' 23' ' ' LEU . 5.6 mmt -89.75 148.82 23.02 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.9 mmtt -79.17 -39.69 32.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.748 0.309 . . . . 0.0 110.612 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -128.39 160.54 31.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.093 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -36.35 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.412 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -45.15 80.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.127 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.539 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 7.4 mt -67.79 -40.86 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.636 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.77 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -62.83 -43.59 98.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.484 -178.321 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -67.01 -35.87 80.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.173 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.539 ' NE2' ' HA ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -77.29 -32.54 55.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.761 179.141 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.7 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 25.1 t60 -66.23 -44.87 82.55 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.496 ' HA ' ' CB ' ' A' ' 30' ' ' CYS . 24.7 mtt -63.61 -14.7 54.15 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -174.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -55.13 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.245 173.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.7 ' HD3' ' HA ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -79.16 -11.12 59.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 177.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.496 ' CB ' ' HA ' ' A' ' 27' ' ' MET . 36.9 t . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.729 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 30.6 mt . . . . . 0 CA--C 1.531 0.216 0 CA-C-O 120.842 0.353 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 21.4 m-85 -97.42 128.48 44.25 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 tp -100.17 136.03 40.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 t -86.74 138.05 31.94 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 167.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -84.56 -6.56 59.38 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.848 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.496 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 6.3 m-85 -109.36 -29.17 8.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -176.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 88.7 m -99.68 -35.65 9.75 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.18 0.514 . . . . 0.0 109.908 175.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt 63.93 36.06 10.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.105 -1.407 . . . . 0.0 109.477 -171.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 150.28 32.04 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.409 176.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.729 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 36.5 m-85 -92.77 131.41 37.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.012 0.434 . . . . 0.0 111.631 -175.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.67 ' HG3' HD11 ' A' ' 23' ' ' LEU . 2.6 mmt -98.98 154.36 18.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.007 178.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.65 -33.72 46.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -131.78 158.19 41.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.849 0.357 . . . . 0.0 110.995 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -66.85 -38.74 86.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.541 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.49 ' HA ' ' HB2' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -70.59 -26.17 63.39 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.112 -179.425 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.7 mt -66.71 -43.4 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 173.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.67 HD11 ' HG3' ' A' ' 17' ' ' MET . 59.1 tp -71.93 -32.54 67.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.72 177.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.49 ' HB2' ' HA ' ' A' ' 21' ' ' THR . 7.8 mt-30 -56.53 -50.6 71.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.98 0.419 . . . . 0.0 110.348 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -71.35 -34.45 70.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.554 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -63.47 -52.56 60.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.457 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -27.8 69.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.096 -175.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -10.09 59.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.94 178.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -38.89 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.141 0.496 . . . . 0.0 110.453 176.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.479 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.479 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 0.9 OUTLIER -123.94 106.65 10.59 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 -179.557 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.6 ' HB3' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -96.08 157.86 15.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.234 0.54 . . . . 0.0 111.391 -173.681 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 5.6 t -81.92 143.14 31.87 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.489 174.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -75.36 -11.15 59.99 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.837 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.41 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 4.5 m-85 -112.82 -27.58 8.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.395 -178.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.462 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 73.9 m -102.58 -34.84 8.95 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.155 0.503 . . . . 0.0 110.185 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.492 ' HA ' HD13 ' A' ' 9' ' ' LEU . 1.0 OUTLIER 62.51 29.02 17.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.782 -178.129 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 122.77 43.75 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.951 177.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.6 ' CD1' ' HB3' ' A' ' 9' ' ' LEU . 14.2 m-30 -62.95 117.89 7.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.626 -177.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.589 ' HG3' HD23 ' A' ' 23' ' ' LEU . 23.5 mmt -93.31 146.78 23.46 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 174.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -79.81 -23.66 41.91 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 111.784 0.291 . . . . 0.0 111.784 -172.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.47 142.7 50.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.696 0.284 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.31 -37.95 87.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.393 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.53 -43.18 84.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.248 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.467 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 10.7 mt -67.18 -47.13 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.682 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.589 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.1 OUTLIER -62.7 -40.38 96.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.196 -178.284 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -62.81 -50.56 70.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.045 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -66.08 -22.34 66.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 0.0 111.02 179.058 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -75.62 -54.23 7.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.011 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 40.3 mtp -64.26 -19.54 65.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.553 -174.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -26.34 64.52 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.745 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.493 ' HG3' ' N ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -98.03 -28.4 13.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.153 0.501 . . . . 0.0 110.687 177.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.726 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -122.17 92.95 3.84 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.433 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.0 tp -73.03 123.69 24.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.39 -173.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -61.27 -45.67 93.54 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.482 178.649 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 80.15 -20.76 0.36 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.886 1.274 . . . . 0.0 111.967 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.423 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 19.8 m-85 -80.26 -51.23 9.17 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.5 p -112.66 -1.06 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.415 172.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mt 62.95 55.43 2.0 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.051 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.98 143.87 32.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.284 175.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -98.53 112.08 24.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.941 0.4 . . . . 0.0 110.626 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.7 mmm -91.47 150.09 21.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.605 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.06 -31.01 44.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.291 -175.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.7 154.05 47.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.324 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ttm105 -66.55 -25.23 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.8 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -46.94 88.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.611 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.5 -42.67 87.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.253 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.78 -37.01 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.919 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -26.07 68.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.317 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -88.78 -39.6 13.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -58.36 -41.59 85.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 29.8 mtt -64.61 -16.53 62.86 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.761 -176.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.43 -47.5 27.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.585 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -37.39 50.61 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.891 -178.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.158 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 18' ' ' LYS . 1.3 mm? . . . . . 0 C--O 1.233 0.229 0 CA-C-O 121.195 0.521 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.498 ' HB3' HD21 ' A' ' 23' ' ' LEU . 4.2 m-85 -84.57 94.45 8.59 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.313 177.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.557 HD23 ' HG3' ' A' ' 11' ' ' GLU . 40.7 tp -80.82 121.65 26.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.026 -173.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -39.84 91.11 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.987 177.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.557 ' HG3' HD23 ' A' ' 9' ' ' LEU . 3.7 mt-10 70.61 -1.36 2.6 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.587 174.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.554 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 18.9 m-85 -104.46 -51.39 3.11 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 176.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 m -89.44 -16.6 30.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 165.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mt 66.08 43.19 2.98 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.581 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -97.66 145.54 26.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.739 175.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -99.06 111.86 24.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.78 0.324 . . . . 0.0 110.656 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.496 ' HG3' ' HA ' ' A' ' 23' ' ' LEU . 33.8 mmt -86.91 142.38 28.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.881 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.523 ' HA ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -83.95 -22.74 31.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.394 -174.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -135.98 146.71 47.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.647 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -61.49 -41.9 97.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -42.41 85.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.494 178.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.6 mt -65.17 -41.96 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.889 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 8' ' ' TYR . 6.2 tp -61.56 -39.94 92.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.053 0.454 . . . . 0.0 110.683 177.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -66.01 -24.83 66.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.796 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -86.11 -30.35 22.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.468 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -68.03 -46.74 70.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.119 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.504 ' C ' ' H ' ' A' ' 29' ' ' LYS . 30.9 mtt -70.98 -179.41 2.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.539 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 27' ' ' MET . 0.0 OUTLIER 73.4 -23.94 0.21 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.375 0.67 . . . . 0.0 111.009 -177.354 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -127.77 -5.08 5.77 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 173.127 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 2.6 t . . . . . 0 N--CA 1.443 -0.778 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.408 173.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 7' ' ' LEU . 1.5 mm? . . . . . 0 C--O 1.235 0.334 0 CA-C-O 121.286 0.565 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.701 ' HB3' HD23 ' A' ' 23' ' ' LEU . 17.3 m-85 -121.44 96.72 5.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.912 -175.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.481 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 18.9 tp -80.66 136.44 36.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.822 -172.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.669 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 4.0 t -84.15 132.03 34.72 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 169.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -96.51 17.14 16.86 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.421 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -113.2 -46.85 3.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.744 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.9 p -112.26 -2.85 14.74 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.267 174.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.669 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 7.3 mt 56.17 65.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.885 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -129.66 145.05 51.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.332 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 58.0 m-85 -91.21 130.62 37.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.979 0.419 . . . . 0.0 111.133 -177.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.0 mmt -101.33 148.67 24.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.042 177.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -79.13 -29.35 43.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.577 -175.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.55 150.76 49.81 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 ttp85 -65.67 -35.68 81.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.983 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.428 HG21 ' N ' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -64.11 -25.3 68.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.764 178.134 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.428 ' N ' HG21 ' A' ' 21' ' ' THR . 90.8 mt -74.06 -44.28 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.074 175.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.701 HD23 ' HB3' ' A' ' 8' ' ' TYR . 37.7 tp -66.09 -32.57 74.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.622 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -65.77 -36.31 83.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -73.27 -19.25 61.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.251 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -90.59 -49.44 6.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.377 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.517 ' HE1' ' HA ' ' A' ' 10' ' ' CYS . 5.1 mtt -77.94 99.69 6.13 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 122.171 0.986 . . . . 0.0 110.473 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.621 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 171.15 -11.65 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 112.56 -2.109 . . . . 0.0 109.064 178.716 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.621 ' N ' ' HD3' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -125.7 -44.05 1.83 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.683 -177.758 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.903 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.752 HD13 ' HA ' ' A' ' 18' ' ' LYS . 1.7 mm? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.008 0.432 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.681 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 5.3 m-85 -103.74 127.3 51.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.122 -177.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' A' ' 14' ' ' LEU . 44.7 tp -99.7 118.57 36.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.986 0.422 . . . . 0.0 111.326 -176.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -31.65 72.96 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.369 178.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 72.62 -14.88 0.53 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.212 -0.904 . . . . 0.0 113.349 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.687 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 55.5 m-85 -97.59 -54.23 3.19 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.449 ' HB2' ' HG2' ' A' ' 15' ' ' LYS . 2.1 m -87.76 -17.07 32.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 168.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.578 ' HA ' HD13 ' A' ' 9' ' ' LEU . 3.8 mt 62.81 47.7 4.45 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 114.24 -1.345 . . . . 0.0 110.611 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.449 ' HG2' ' HB2' ' A' ' 13' ' ' CYS . 27.9 mmtm -104.49 146.62 28.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.9 177.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -91.06 122.63 33.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.146 0.498 . . . . 0.0 111.159 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.662 ' HG3' HD21 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -97.62 143.72 28.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.788 177.685 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.752 ' HA ' HD13 ' A' ' 7' ' ' LEU . 3.1 mptt -79.47 -18.43 52.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.397 -176.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.0 p -149.35 168.92 22.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.776 0.322 . . . . 0.0 110.625 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -80.36 -16.82 53.65 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.398 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.27 -31.63 65.93 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 174.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.8 mt -79.81 -41.85 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.101 175.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.681 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -58.59 -42.17 87.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.693 178.183 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -69.03 -38.69 79.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.891 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -73.58 -33.78 64.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -69.62 -50.27 45.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.654 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.552 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . 28.9 mtp -68.36 178.45 1.96 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.813 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 27' ' ' MET . 0.3 OUTLIER 76.08 -52.71 0.62 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.783 -174.297 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -36.26 49.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.493 172.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.687 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 9.9 t . . . . . 0 C--O 1.235 0.336 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.634 176.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.424 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 2.8 mm? . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.529 ' HB3' HD13 ' A' ' 23' ' ' LEU . 69.3 m-85 -123.0 100.29 6.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.005 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.852 ' HG ' ' CE1' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -73.19 128.17 34.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.305 -175.241 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -68.59 -49.45 59.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.198 176.774 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 4.6 mt-10 77.59 -10.36 1.36 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.328 177.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.455 ' HE2' ' HG2' ' A' ' 27' ' ' MET . 64.3 m-85 -88.86 -43.13 11.44 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.7 p -122.25 -0.78 9.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.921 172.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.492 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . 4.1 mt 62.35 53.53 2.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.516 177.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -118.94 121.6 40.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.078 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.852 ' CE1' ' HG ' ' A' ' 9' ' ' LEU . 16.8 m-85 -70.95 127.18 31.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.846 -176.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.718 ' HG3' ' HA ' ' A' ' 23' ' ' LEU . 36.3 mmt -98.1 150.16 21.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.49 174.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -26.39 35.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.621 -173.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.79 157.64 42.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.641 0.258 . . . . 0.0 111.081 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -43.07 93.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.58 178.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -62.49 -41.77 99.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.817 179.012 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.409 ' HA ' ' CD ' ' A' ' 25' ' ' GLN . 59.4 mt -64.92 -37.69 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.852 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.718 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -62.67 -38.74 91.51 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.83 -40.16 95.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.692 176.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.488 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 35.4 mt-30 -63.79 -43.95 94.8 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.243 0.544 . . . . 0.0 110.14 175.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.857 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 32.2 t60 -61.98 -41.59 98.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.834 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.455 ' HG2' ' HE2' ' A' ' 12' ' ' PHE . 26.9 mtt -65.43 -8.45 19.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.708 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.8 OUTLIER -78.7 -49.29 13.38 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.858 176.024 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.857 ' HD2' ' HA ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -70.92 -37.82 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.45 0.643 . . . . 0.0 110.074 176.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.441 176.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.92 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 12.1 mt . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.674 0.273 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.648 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -93.71 129.93 39.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.584 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.3 tp -92.14 135.48 33.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.704 -174.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.56 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 2.6 t -83.67 131.14 34.96 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -85.41 6.13 27.94 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.082 -178.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -111.98 -40.22 4.3 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.739 -175.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.6 p -124.75 -1.07 7.95 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.771 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.56 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 1.4 mt 55.56 60.39 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.944 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -127.05 157.44 39.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.941 173.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.92 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 64.2 m-85 -100.38 128.53 46.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.679 0.276 . . . . 0.0 111.584 -175.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.617 ' O ' ' HB3' ' A' ' 7' ' ' LEU . 5.7 mmt -92.17 147.61 22.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.627 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.484 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -79.62 -27.31 41.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.586 0.232 . . . . 0.0 111.46 -178.324 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 m -135.47 149.54 49.58 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.672 0.272 . . . . 0.0 110.564 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -66.51 -34.26 77.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.681 -175.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -27.64 68.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.922 0.391 . . . . 0.0 110.229 177.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.1 mt -74.46 -40.37 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.907 174.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.648 ' HG ' ' HB2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -62.79 -37.45 86.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.215 178.688 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -64.3 -55.53 20.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.232 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -63.64 -34.23 77.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.839 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -67.67 -51.89 44.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.03 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.61 ' HE2' HD13 ' A' ' 23' ' ' LEU . 24.9 mtm -62.04 -24.29 66.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.887 0.375 . . . . 0.0 111.526 -174.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -77.25 -21.56 53.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.728 179.587 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -95.48 -36.53 11.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.196 0.522 . . . . 0.0 110.824 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.477 178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.842 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -119.38 129.54 54.87 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.632 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.9 tp -93.03 145.09 24.64 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.673 -173.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.535 ' SG ' ' N ' ' A' ' 11' ' ' GLU . 19.1 t -76.49 -176.86 3.88 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 172.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.535 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -131.65 -7.89 3.63 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.797 -179.392 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.554 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 69.1 m-85 -113.26 -39.8 4.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.149 -175.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 p -115.75 -13.49 11.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.635 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mt 58.24 66.01 1.18 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.866 176.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -121.32 160.74 23.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.735 172.362 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -101.19 125.83 47.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 -177.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.648 ' HG2' HD23 ' A' ' 23' ' ' LEU . 7.1 mmt -93.32 143.25 26.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.21 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 -25.44 27.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.627 0.251 . . . . 0.0 111.318 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.435 ' HB2' HD13 ' A' ' 22' ' ' ILE . 1.6 m -124.99 143.71 50.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 177.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -66.04 -35.4 80.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.393 -175.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -34.6 75.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.089 0.471 . . . . 0.0 110.923 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.435 HD13 ' HB2' ' A' ' 19' ' ' SER . 41.4 mt -66.27 -50.28 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.836 176.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.842 ' HG ' ' HB2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -58.43 -42.97 88.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.277 178.577 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -58.31 -50.29 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.806 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -70.03 -36.65 75.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.894 0.378 . . . . 0.0 111.215 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -59.54 -41.19 89.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.133 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.5 mtt -66.75 -20.19 65.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.302 -176.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 13.91 33.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.906 0.384 . . . . 0.0 110.157 175.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -122.4 -30.54 3.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.408 0.623 . . . . 0.0 110.465 -178.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.96 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.758 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 3.6 mm? . . . . . 0 C--O 1.234 0.264 0 CA-C-O 121.381 0.61 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.409 ' HD1' ' O ' ' A' ' 17' ' ' MET . 7.5 m-85 -84.96 100.81 11.88 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.904 174.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 10' ' ' CYS . 28.5 tp -80.41 143.48 33.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.415 -171.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 12.7 t -85.4 162.63 18.94 Favored 'General case' 0 N--CA 1.432 -1.348 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -111.0 -10.99 14.36 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.907 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.462 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 54.5 m-85 -100.94 -45.73 5.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -176.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.1 p -112.22 -16.69 12.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.887 0.375 . . . . 0.0 110.407 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt 63.61 49.37 3.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.669 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -103.49 148.49 25.88 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 172.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.758 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 42.6 m-85 -89.7 111.35 22.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.021 0.439 . . . . 0.0 110.54 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.513 ' HG3' HD21 ' A' ' 23' ' ' LEU . 31.5 mmt -85.15 136.69 33.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.661 178.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.686 ' HA ' HD12 ' A' ' 7' ' ' LEU . 2.1 mtpt -79.47 -8.66 59.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.262 -171.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 m -145.47 146.8 31.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.731 0.3 . . . . 0.0 110.772 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.7 ttp85 -64.77 -39.28 93.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.498 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -38.46 78.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.123 177.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.5 mt -71.62 -46.43 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.404 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.513 HD21 ' HG3' ' A' ' 17' ' ' MET . 0.1 OUTLIER -59.95 -38.47 82.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.091 179.724 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -60.34 -43.65 96.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.052 0.453 . . . . 0.0 110.93 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -73.73 -39.61 64.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.193 0.521 . . . . 0.0 110.233 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -58.83 -57.88 11.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.533 -177.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -25.55 66.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.283 -174.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -28.02 62.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.453 ' HZ1' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -91.07 -33.22 15.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.914 0.387 . . . . 0.0 110.875 178.771 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.02 -13.02 29.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.772 0.32 . . . . 0.0 110.402 177.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.53 35.82 22.78 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.71 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.88 113.22 65.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.03 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.44 122.33 8.54 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.405 2.07 . . . . 0.0 112.106 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.61 112.55 13.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.836 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.418 HD11 ' O ' ' A' ' 17' ' ' MET . 0.6 OUTLIER -94.51 -176.15 3.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.151 -178.072 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 -85.94 96.05 9.68 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-O 120.791 0.329 . . . . 0.0 110.861 -176.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 27.9 tp -78.01 130.61 36.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.592 -175.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.613 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -75.15 142.67 43.53 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 173.037 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -99.07 4.93 47.17 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.056 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.537 ' HE2' ' HG2' ' A' ' 27' ' ' MET . 25.5 m-85 -107.79 -46.79 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.994 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.613 ' SG ' ' HG2' ' A' ' 15' ' ' LYS . 19.8 p -119.18 -8.83 10.08 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.828 0.347 . . . . 0.0 110.622 177.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.613 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 3.9 mt 62.94 72.29 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.978 176.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.613 ' HG2' ' SG ' ' A' ' 13' ' ' CYS . 7.2 mmtp -123.24 156.25 35.57 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 172.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -96.37 106.4 18.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.19 0.519 . . . . 0.0 111.417 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.418 ' O ' HD11 ' A' ' 7' ' ' LEU . 54.0 mmm -86.22 147.85 25.92 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.704 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -79.7 -37.77 34.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.441 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -120.07 150.04 41.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.743 0.306 . . . . 0.0 110.873 -178.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -38.17 89.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.339 176.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -48.14 82.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.977 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.417 HG22 ' HE1' ' A' ' 17' ' ' MET . 4.4 mt -65.7 -35.67 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.701 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.0 tp -63.25 -39.85 95.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.306 177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -62.03 -43.46 98.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 177.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -63.65 -41.66 98.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.214 0.531 . . . . 0.0 110.382 176.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -63.74 -36.57 84.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.501 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.537 ' HG2' ' HE2' ' A' ' 12' ' ' PHE . 32.4 mtt -67.09 -19.29 65.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.246 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -43.23 33.55 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -45.04 91.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.906 177.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -82.47 -2.12 52.36 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.556 -178.624 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.68 11.84 38.73 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.938 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.471 ' CE3' ' HA ' ' A' ' 32' ' ' TRP . 3.4 m95 -85.13 61.01 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.118 0.485 . . . . 0.0 110.307 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.0 p90 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.339 -179.746 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 111.752 -0.539 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -59.69 2.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.799 0.333 . . . . 0.0 110.324 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.56 -80.15 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.265 176.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.591 ' HG ' ' HD2' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -115.87 155.88 47.22 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 173.57 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.591 ' HD2' ' HG ' ' A' ' 4' ' ' LEU . 12.5 Cg_endo -56.02 131.36 45.48 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.152 1.901 . . . . 0.0 111.283 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -78.23 84.97 4.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.03 -175.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.888 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 4.1 mm? -82.31 -145.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.737 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.451 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 38.6 m-85 -89.8 86.13 6.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.743 175.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 16' ' ' TYR . 2.5 tp -83.6 136.17 34.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.821 -176.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -156.33 0.04 OUTLIER 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 121.831 0.824 . . . . 0.0 111.726 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.417 ' HA ' HD21 ' A' ' 14' ' ' LEU . 17.7 mm-40 -137.57 -0.16 2.19 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.77 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.675 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 4.9 m-85 -114.78 -64.51 1.31 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.005 -177.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -90.32 -17.63 27.01 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.631 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 11' ' ' GLU . 4.7 mt 57.42 74.33 0.42 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.269 177.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -128.93 143.68 50.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.296 178.522 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.888 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 37.1 m-85 -80.31 109.28 14.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.962 -177.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.59 ' O ' ' HB3' ' A' ' 7' ' ' LEU . 32.3 mmt -90.62 149.55 22.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.159 178.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -79.01 -25.7 43.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.847 -174.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -136.25 152.78 51.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.194 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -63.42 -41.92 98.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.097 176.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -37.79 82.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.224 177.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.0 mt -64.74 -49.75 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.999 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.472 HD13 ' HG3' ' A' ' 17' ' ' MET . 49.2 tp -60.17 -36.05 76.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.051 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -43.79 95.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.916 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -78.17 -43.45 28.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -59.09 -38.19 78.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.769 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.2 mtt -59.69 -19.71 51.5 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -35.54 68.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.923 0.392 . . . . 0.0 110.29 176.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.431 ' HA ' ' HB2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -86.86 -30.58 21.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.133 177.133 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.675 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 6.9 t -60.22 -47.69 84.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.038 177.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.38 -6.09 89.02 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.492 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.431 ' HB2' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -83.55 -39.21 20.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.822 0.344 . . . . 0.0 111.016 179.05 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.089 -179.868 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.34 -37.21 77.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.819 0.342 . . . . 0.0 110.559 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -130.89 -176.97 4.17 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.85 122.57 87.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 177.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.414 ' HB2' HD22 ' A' ' 7' ' ' LEU . 61.0 Cg_endo -76.35 136.91 18.24 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.342 2.028 . . . . 0.0 112.465 -177.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.62 92.0 4.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.466 177.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.724 HD13 ' HA ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -90.04 -166.0 1.48 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.183 0.516 . . . . 0.0 111.087 -175.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.447 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 4.0 m-85 -112.81 85.69 2.22 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.904 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.524 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 14.3 tp -75.45 129.04 36.65 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.553 -172.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 1.4 t -75.78 111.71 11.41 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 171.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.83 18.51 1.57 Allowed 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.866 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.45 ' HE2' ' HG2' ' A' ' 27' ' ' MET . 15.0 m-85 -104.97 -46.69 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.754 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.24 -8.28 13.97 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.054 0.454 . . . . 0.0 110.207 173.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.497 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 8.4 mt 69.15 67.18 0.27 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.881 176.528 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' C ' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -137.17 125.42 23.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.318 175.403 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.524 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 20.0 m-85 -72.68 116.82 13.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.039 -177.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.475 ' HG3' HD21 ' A' ' 23' ' ' LEU . 17.2 mmt -91.16 141.66 28.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 177.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.724 ' HA ' HD13 ' A' ' 7' ' ' LEU . 1.2 mmtp -88.11 -0.18 56.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.761 -174.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.742 ' HB2' HD11 ' A' ' 22' ' ' ILE . 49.4 m -151.82 143.97 23.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.756 0.312 . . . . 0.0 111.186 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -65.45 -41.17 93.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.5 -26.96 65.72 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.057 0.456 . . . . 0.0 110.712 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.742 HD11 ' HB2' ' A' ' 19' ' ' SER . 5.2 mt -75.44 -38.87 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.88 175.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.475 HD21 ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -66.34 -38.05 86.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.069 176.399 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -62.05 -42.82 99.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.468 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 22' ' ' ILE . 2.4 pt20 -75.56 -26.35 57.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.083 0.468 . . . . 0.0 110.215 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -72.91 -40.56 65.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.654 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.45 ' HG2' ' HE2' ' A' ' 12' ' ' PHE . 78.1 mtp -63.38 -20.31 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.464 -176.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -42.77 67.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.943 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -40.8 73.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.431 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.71 28.08 1.61 Allowed 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.376 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.51 54.9 0.11 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.113 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.0 m95 -70.04 -32.8 71.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.905 0.383 . . . . 0.0 110.421 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.4 t80 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.486 -0.769 . . . . 0.0 110.377 177.33 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 111.733 -0.547 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.2 -171.25 2.36 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -36.13 83.29 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.244 0.545 . . . . 0.0 109.736 177.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -84.01 136.07 41.62 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.735 175.013 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 22.6 Cg_exo -65.52 154.38 73.96 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.484 2.123 . . . . 0.0 111.598 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.27 87.03 4.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.032 0.444 . . . . 0.0 110.313 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.455 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 1.1 mm? -83.88 -154.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.054 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.5 ' HB3' HD13 ' A' ' 23' ' ' LEU . 19.3 m-85 -107.87 116.18 31.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.764 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.3 tp -95.87 135.22 37.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.169 -171.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 8.3 t -85.04 147.87 26.45 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 168.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -95.72 -7.39 37.47 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.115 -177.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -107.8 -28.29 9.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.483 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 83.3 m -101.35 -33.71 9.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.165 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.2 mt 62.66 34.79 14.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.712 -173.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.43 143.82 36.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.383 177.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.408 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 31.5 m-85 -88.62 117.7 27.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.182 0.515 . . . . 0.0 111.019 -177.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 12.0 mmt -82.64 137.59 34.45 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.725 179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -79.64 -14.5 58.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.993 -173.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -134.67 152.15 51.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.872 0.368 . . . . 0.0 111.129 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 20' ' ' ARG . 2.3 ttt180 -65.91 -45.8 80.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.31 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -39.29 79.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.357 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.74 -55.19 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.826 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.5 HD13 ' HB3' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -63.69 -34.47 77.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.217 -179.031 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -60.09 -49.1 78.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.2 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -80.12 -24.8 40.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 110.528 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -64.33 -54.33 34.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.672 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.5 mtp -69.57 -12.72 61.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 111.211 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -36.61 40.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.084 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -40.34 20.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.415 177.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -23.71 64.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.768 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.69 -13.57 71.8 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.475 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -81.71 69.24 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.152 0.501 . . . . 0.0 110.2 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.231 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 112.054 -0.418 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.95 47.4 1.38 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.079 0.466 . . . . 0.0 110.996 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -29.35 17.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.267 0.556 . . . . 0.0 110.062 177.137 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.08 157.66 76.46 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.454 176.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -68.74 -178.04 1.8 Allowed 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.765 2.31 . . . . 0.0 112.316 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 81.36 2.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.375 0.607 . . . . 0.0 111.158 -179.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.538 HD22 ' HE2' ' A' ' 18' ' ' LYS . 14.8 mt -103.58 -144.52 0.36 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.813 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.806 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 79.9 m-85 -84.76 102.8 13.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.499 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 46.3 tp -84.16 122.73 29.25 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.059 -176.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.555 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 6.8 t -80.69 112.79 18.39 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 173.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.09 9.28 1.65 Allowed 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.571 -178.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.555 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 22.1 m-85 -99.6 -42.37 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.35 -0.14 . . . . 0.0 111.118 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.8 p -122.04 -6.52 8.94 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.881 0.372 . . . . 0.0 111.142 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 mt 62.99 46.74 4.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.693 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.05 152.13 28.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.317 172.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.499 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 44.6 m-85 -99.84 127.45 46.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.151 0.5 . . . . 0.0 111.639 -176.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.801 ' HG3' HD21 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -100.89 139.62 36.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.83 177.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.538 ' HE2' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -78.82 -31.21 45.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.578 -175.766 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.53 151.89 42.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.003 0.43 . . . . 0.0 111.401 -178.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.6 ttm180 -61.55 -42.41 98.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.432 HG21 ' N ' ' A' ' 22' ' ' ILE . 12.8 t -61.55 -27.4 68.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.495 HG23 ' HB3' ' A' ' 17' ' ' MET . 96.8 mt -73.17 -52.12 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.806 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -56.4 -44.73 80.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.143 178.327 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -60.6 -48.68 80.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.523 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -75.5 -36.66 60.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.832 0.349 . . . . 0.0 111.229 -177.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -63.44 -40.19 96.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.774 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.6 mtt -62.74 -15.76 54.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.734 -176.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -83.17 -26.61 30.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.743 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -90.93 -27.83 18.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 0.0 110.656 179.404 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -78.09 -56.01 4.82 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.715 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -94.36 66.13 1.5 Allowed Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 173.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.428 ' CD1' ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -63.63 -41.4 98.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.835 0.35 . . . . 0.0 111.275 -175.769 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.843 -0.598 . . . . 0.0 110.285 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 111.895 -0.482 . . . . 0.0 111.895 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.49 43.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.814 0.34 . . . . 0.0 111.101 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -139.79 154.07 47.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.489 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.23 104.7 49.98 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.151 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -67.2 -73.97 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.795 2.33 . . . . 0.0 112.649 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.44 162.44 33.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.413 ' HA ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -150.53 -178.95 6.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.859 0.361 . . . . 0.0 110.128 176.657 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.512 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 97.8 m-85 -83.57 83.32 7.94 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-O 120.966 0.412 . . . . 0.0 110.539 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 23.9 tp -73.1 126.38 29.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.116 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -37.82 88.74 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.208 178.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.545 ' HA ' HD22 ' A' ' 14' ' ' LEU . 10.3 mt-10 75.31 -7.64 1.73 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.874 0.87 . . . . 0.0 112.886 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.515 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 42.7 m-85 -104.59 -48.51 3.78 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.5 m -89.09 -16.11 32.31 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 167.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.545 HD22 ' HA ' ' A' ' 11' ' ' GLU . 8.4 mt 61.48 45.43 8.38 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.787 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -110.31 146.06 36.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.167 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -87.2 112.01 21.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.3 mmt -88.12 145.37 25.97 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -30.11 23.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.769 -173.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m -123.23 155.6 36.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.8 0.333 . . . . 0.0 111.536 -176.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.512 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -62.64 -46.71 86.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.133 177.075 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.21 -44.82 92.25 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.771 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.9 mt -62.37 -40.31 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.13 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' HA ' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -66.68 -47.8 71.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.068 0.461 . . . . 0.0 110.358 178.682 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -64.05 -42.41 97.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.268 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -71.74 -25.09 61.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.656 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -67.23 -43.62 81.53 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.0 mtt -61.87 -15.83 45.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.562 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.26 -30.6 48.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.169 176.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.62 -33.61 16.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.214 0.531 . . . . 0.0 109.651 176.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.515 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 5.1 t -59.2 -41.21 88.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.166 177.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.6 -9.2 87.1 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.305 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -90.03 75.41 7.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.058 0.456 . . . . 0.0 110.632 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.8 p90 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.6 -0.714 . . . . 0.0 109.984 179.449 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 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 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -39.56 83.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.861 0.362 . . . . 0.0 111.177 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -92.9 70.85 4.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.992 0.425 . . . . 0.0 110.188 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.602 ' HG ' ' HD2' ' A' ' 5' ' ' PRO . 1.8 tp -97.5 146.33 31.2 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.146 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.602 ' HD2' ' HG ' ' A' ' 4' ' ' LEU . 19.6 Cg_endo -59.38 137.38 77.95 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.435 2.09 . . . . 0.0 111.94 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.7 102.55 13.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.168 0.508 . . . . 0.0 110.077 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.478 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 3.1 mm? -86.31 -153.15 0.19 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.234 -178.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.594 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 9.4 m-85 -99.52 139.41 35.22 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.666 ' HG ' ' HE1' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -105.6 120.23 41.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.746 0.308 . . . . 0.0 111.538 -175.23 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -63.75 -39.24 93.79 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.005 177.767 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' N ' HD22 ' A' ' 9' ' ' LEU . 56.4 mt-10 73.75 -4.95 2.12 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.558 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.647 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 32.0 m-85 -98.42 -48.39 5.05 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 173.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' HB3' ' HE2' ' A' ' 15' ' ' LYS . 4.5 m -90.5 -18.62 24.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.45 167.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.599 HD21 HD21 ' A' ' 9' ' ' LEU . 4.3 mt 64.72 42.11 4.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 114.394 -1.275 . . . . 0.0 109.859 -174.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -106.27 151.23 25.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.564 -179.553 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.666 ' HE1' ' HG ' ' A' ' 9' ' ' LEU . 2.7 m-30 -96.03 107.98 20.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.587 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.476 ' HE1' ' O ' ' A' ' 8' ' ' TYR . 2.1 mpp? -77.06 147.27 36.8 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.496 174.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -22.4 49.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.864 0.364 . . . . 0.0 110.957 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -143.39 157.6 44.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.368 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -30.88 65.6 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -33.83 76.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.64 174.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mt -68.84 -40.5 81.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.203 176.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.419 ' HB2' ' HE2' ' A' ' 17' ' ' MET . 41.5 tp -60.95 -34.08 74.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 178.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -57.82 -40.14 79.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 26.3 mm-40 -79.28 -37.3 38.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.318 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -57.93 -44.04 86.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.563 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . 1.2 mtt -71.12 -6.59 40.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.729 -175.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.44 -45.17 56.0 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 171.248 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.43 -33.15 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.679 174.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.647 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -84.36 36.12 0.57 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.792 174.32 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.89 59.0 0.16 Allowed Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.864 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -35.79 54.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.887 0.375 . . . . 0.0 111.021 -176.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.843 -0.598 . . . . 0.0 110.025 -179.841 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -84.02 53.79 2.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.353 0.596 . . . . 0.0 110.98 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.35 140.71 49.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.251 175.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -71.71 118.9 70.72 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.84 0.352 . . . . 0.0 110.65 -178.075 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 3.7 Cg_endo -87.72 -153.32 0.04 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.375 2.716 . . . . 0.0 111.505 -178.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.91 156.39 27.31 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 175.043 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -131.31 -166.87 1.77 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.818 0.342 . . . . 0.0 110.432 -177.372 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.465 ' CD2' ' HG3' ' A' ' 20' ' ' ARG . 1.9 m-85 -84.53 94.16 8.51 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 173.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.547 HD13 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -93.83 135.29 35.29 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.007 -167.788 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.5 t -74.48 122.73 23.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 170.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.54 -3.95 37.09 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -104.88 -33.18 8.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 110.686 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 84.6 m -96.66 -27.85 14.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.381 177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.547 ' HA ' HD13 ' A' ' 9' ' ' LEU . 5.3 mt 60.24 47.94 8.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.182 -172.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.38 137.78 54.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.043 179.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.401 ' CG ' ' HB2' ' A' ' 7' ' ' LEU . 6.5 m-30 -81.82 104.15 11.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.412 -177.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.423 ' SD ' HD23 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -84.01 144.86 28.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 174.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -27.78 25.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -171.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -126.36 140.05 52.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' HG3' ' CD2' ' A' ' 8' ' ' TYR . 4.1 ttt180 -70.09 -25.91 63.74 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.38 -176.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.45 -42.3 92.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.317 0.58 . . . . 0.0 109.952 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.2 mt -62.83 -44.53 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.248 176.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.438 HD22 ' O ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -66.96 -39.01 87.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.017 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -49.37 75.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.837 0.351 . . . . 0.0 110.388 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -60.7 -38.08 83.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.472 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -68.25 -52.7 30.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.389 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.8 mtt -64.21 -23.66 67.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.808 0.337 . . . . 0.0 111.334 -174.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -81.16 -10.36 59.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.431 179.148 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.64 -39.59 6.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.016 176.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.84 -51.66 60.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.105 177.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.8 50.84 4.37 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.878 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.74 -43.48 65.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.984 0.421 . . . . 0.0 110.797 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.212 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.037 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.87 97.77 7.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.963 0.411 . . . . 0.0 110.643 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 3' ' ' ARG . 1.7 tpp180 -119.82 125.92 49.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.251 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.91 103.57 14.34 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.34 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.38 144.5 80.31 Favored 'Trans proline' 0 C--O 1.238 0.507 0 C-N-CA 122.499 2.133 . . . . 0.0 111.767 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -90.82 84.52 5.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.594 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -76.54 -148.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.981 -177.334 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.418 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 17.4 m-85 -109.99 109.98 20.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.689 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.7 tp -88.57 137.97 31.85 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.241 -169.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 t -83.08 132.81 35.1 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 167.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.24 -2.0 26.01 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.567 -177.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -121.04 -37.82 2.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.788 0.328 . . . . 0.0 111.329 -177.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.407 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 78.0 m -91.51 -33.96 14.97 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.095 0.474 . . . . 0.0 109.758 176.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mt 60.02 37.53 21.17 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.241 -1.345 . . . . 0.0 110.098 -174.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.407 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 9.9 mmtp -100.82 153.29 19.6 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.537 -1.21 . . . . 0.0 109.24 174.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -89.95 108.35 19.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.039 0.447 . . . . 0.0 111.541 -175.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.701 ' HG3' HD22 ' A' ' 23' ' ' LEU . 20.4 mmt -79.77 139.35 37.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.619 176.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -34.02 44.09 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -171.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -121.54 145.98 47.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.739 0.304 . . . . 0.0 110.962 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 -60.46 -45.11 94.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.077 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -23.65 66.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.795 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 mt -74.88 -39.64 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.131 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.701 HD22 ' HG3' ' A' ' 17' ' ' MET . 0.2 OUTLIER -66.55 -48.33 70.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.186 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.87 -25.53 67.23 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.726 -179.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -74.28 -42.14 60.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.168 0.509 . . . . 0.0 109.829 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -68.95 -52.07 33.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.503 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -15.96 63.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.915 -171.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -84.71 -16.14 42.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.17 0.51 . . . . 0.0 109.759 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.18 -41.73 10.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.412 176.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -52.26 39.7 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.169 176.085 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.47 60.06 4.32 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 121.148 -0.549 . . . . 0.0 111.919 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -72.37 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.389 -0.815 . . . . 0.0 110.025 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.997 0 N-CA-C 111.694 -0.562 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -40.77 98.01 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 6.8 mmm180 -106.64 123.82 48.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.326 172.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.494 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.3 mt 71.49 135.07 0.04 OUTLIER Pre-proline 0 N--CA 1.465 0.294 0 O-C-N 123.904 0.753 . . . . 0.0 111.325 -177.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 6.8 Cg_exo -73.98 -179.25 4.46 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.024 2.482 . . . . 0.0 112.052 -178.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.27 101.64 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.087 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 7' ' ' LEU . 0.9 OUTLIER -122.32 -149.95 0.44 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.348 -178.487 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.608 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 5.5 m-85 -103.36 100.03 9.9 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.621 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.8 tp -78.55 119.35 21.71 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -63.78 -32.19 73.62 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.325 178.851 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' HA ' HD21 ' A' ' 14' ' ' LEU . 33.3 mt-10 70.42 1.34 3.58 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.692 173.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.479 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 61.6 m-85 -112.53 -52.75 2.76 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 m -90.42 -17.64 26.84 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 168.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.439 HD21 ' HA ' ' A' ' 11' ' ' GLU . 4.9 mt 66.37 37.06 4.93 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.548 -1.206 . . . . 0.0 111.313 179.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.69 156.94 16.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.397 172.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.45 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 51.5 m-85 -106.72 123.58 48.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.942 0.401 . . . . 0.0 110.952 -177.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.77 ' HG3' ' HA ' ' A' ' 23' ' ' LEU . 5.6 mmt -89.75 148.82 23.02 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HA ' HD11 ' A' ' 7' ' ' LEU . 5.9 mmtt -79.17 -39.69 32.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.748 0.309 . . . . 0.0 110.612 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -128.39 160.54 31.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.093 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -36.35 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.412 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -45.15 80.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.127 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.539 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 7.4 mt -67.79 -40.86 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.636 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.77 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -62.83 -43.59 98.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.484 -178.321 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -67.01 -35.87 80.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.173 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.539 ' NE2' ' HA ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -77.29 -32.54 55.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.761 179.141 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.7 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 25.1 t60 -66.23 -44.87 82.55 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.496 ' HA ' ' CB ' ' A' ' 30' ' ' CYS . 24.7 mtt -63.61 -14.7 54.15 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -174.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -55.13 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.245 173.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.7 ' HD3' ' HA ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -79.16 -11.12 59.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 177.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.496 ' CB ' ' HA ' ' A' ' 27' ' ' MET . 36.9 t -63.53 -50.72 68.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -91.04 19.11 48.18 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.311 176.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.6 ' HB2' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -80.24 -11.42 59.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.016 0.436 . . . . 0.0 110.571 177.631 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.385 -0.817 . . . . 0.0 109.619 179.203 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.742 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.97 60.92 1.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.388 . . . . 0.0 110.919 -177.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.84 70.27 10.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.046 0.451 . . . . 0.0 110.133 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.461 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -122.3 129.3 25.14 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.314 -178.74 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 11.4 Cg_exo -69.08 -77.55 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.74 2.293 . . . . 0.0 111.631 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.24 99.13 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.229 0.538 . . . . 0.0 110.499 176.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.729 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 30.6 mt -84.84 -149.24 0.11 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.976 -177.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 21.4 m-85 -97.42 128.48 44.25 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 tp -100.17 136.03 40.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 t -86.74 138.05 31.94 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 167.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -84.56 -6.56 59.38 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.848 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.496 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 6.3 m-85 -109.36 -29.17 8.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -176.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 88.7 m -99.68 -35.65 9.75 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.18 0.514 . . . . 0.0 109.908 175.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt 63.93 36.06 10.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.105 -1.407 . . . . 0.0 109.477 -171.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 150.28 32.04 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.409 176.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.729 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 36.5 m-85 -92.77 131.41 37.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.012 0.434 . . . . 0.0 111.631 -175.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.67 ' HG3' HD11 ' A' ' 23' ' ' LEU . 2.6 mmt -98.98 154.36 18.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.007 178.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.65 -33.72 46.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -131.78 158.19 41.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.849 0.357 . . . . 0.0 110.995 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -66.85 -38.74 86.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.541 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.49 ' HA ' ' HB2' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -70.59 -26.17 63.39 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.112 -179.425 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.7 mt -66.71 -43.4 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 173.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.67 HD11 ' HG3' ' A' ' 17' ' ' MET . 59.1 tp -71.93 -32.54 67.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.72 177.114 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.49 ' HB2' ' HA ' ' A' ' 21' ' ' THR . 7.8 mt-30 -56.53 -50.6 71.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.98 0.419 . . . . 0.0 110.348 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -71.35 -34.45 70.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.554 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -63.47 -52.56 60.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.457 -178.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -27.8 69.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.096 -175.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -10.09 59.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.94 178.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -38.89 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.141 0.496 . . . . 0.0 110.453 176.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.43 -39.45 71.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.945 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.61 35.38 3.36 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.55 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.14 62.34 6.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.014 0.435 . . . . 0.0 110.619 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.208 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 112.034 -0.426 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.06 145.34 53.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.915 0.388 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.57 60.89 1.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.275 -178.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.704 ' HB3' HD22 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -79.76 128.38 74.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.431 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -75.64 -92.11 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 122.437 2.091 . . . . 0.0 112.277 -177.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.47 115.85 27.21 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.141 0.496 . . . . 0.0 110.105 176.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.704 HD22 ' HB3' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -135.88 -156.31 0.7 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.029 -178.515 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.479 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 0.9 OUTLIER -123.94 106.65 10.59 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 -179.557 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.6 ' HB3' ' CD1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -96.08 157.86 15.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.234 0.54 . . . . 0.0 111.391 -173.681 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.462 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 5.6 t -81.92 143.14 31.87 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.489 174.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -75.36 -11.15 59.99 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.837 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.41 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 4.5 m-85 -112.82 -27.58 8.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.395 -178.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.462 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 73.9 m -102.58 -34.84 8.95 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.155 0.503 . . . . 0.0 110.185 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.492 ' HA ' HD13 ' A' ' 9' ' ' LEU . 1.0 OUTLIER 62.51 29.02 17.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.782 -178.129 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 122.77 43.75 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.951 177.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.628 ' HD2' ' HB2' ' A' ' 4' ' ' LEU . 14.2 m-30 -62.95 117.89 7.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.626 -177.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.589 ' HG3' HD23 ' A' ' 23' ' ' LEU . 23.5 mmt -93.31 146.78 23.46 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 174.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -79.81 -23.66 41.91 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 111.784 0.291 . . . . 0.0 111.784 -172.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.47 142.7 50.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.696 0.284 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.31 -37.95 87.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.393 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.53 -43.18 84.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.248 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.467 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 10.7 mt -67.18 -47.13 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.682 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.589 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.1 OUTLIER -62.7 -40.38 96.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.196 -178.284 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -62.81 -50.56 70.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.045 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -66.08 -22.34 66.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 0.0 111.02 179.058 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -75.62 -54.23 7.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.011 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 40.3 mtp -64.26 -19.54 65.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.553 -174.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -26.34 64.52 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.745 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' HG3' ' N ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -98.03 -28.4 13.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.153 0.501 . . . . 0.0 110.687 177.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.493 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -74.42 -33.75 63.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.726 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.77 50.93 3.69 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.768 -178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.482 ' HB3' ' H ' ' A' ' 33' ' ' PHE . 5.6 m95 -105.36 -156.17 0.56 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 177.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.482 ' H ' ' HB3' ' A' ' 32' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.989 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.204 -0.359 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 m -102.52 92.84 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.741 0.305 . . . . 0.0 111.088 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.86 -35.57 18.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 174.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.651 ' HG ' ' HD2' ' A' ' 5' ' ' PRO . 0.9 OUTLIER -94.56 138.76 22.23 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.996 172.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.651 ' HD2' ' HG ' ' A' ' 4' ' ' LEU . 19.5 Cg_endo -62.91 -87.46 0.0 OUTLIER 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.41 2.073 . . . . 0.0 111.953 -178.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.522 ' HB2' ' HE3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -163.56 150.7 12.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.044 176.256 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.438 HD21 HD21 ' A' ' 4' ' ' LEU . 0.3 OUTLIER -140.47 -136.33 0.11 Allowed 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.127 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -122.17 92.95 3.84 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.433 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.0 tp -73.03 123.69 24.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.39 -173.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -61.27 -45.67 93.54 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.482 178.649 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 80.15 -20.76 0.36 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.886 1.274 . . . . 0.0 111.967 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.423 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 19.8 m-85 -80.26 -51.23 9.17 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.5 p -112.66 -1.06 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.415 172.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mt 62.95 55.43 2.0 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.051 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.98 143.87 32.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.284 175.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -98.53 112.08 24.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.941 0.4 . . . . 0.0 110.626 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.7 mmm -91.47 150.09 21.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.605 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.06 -31.01 44.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.291 -175.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.7 154.05 47.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.324 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ttm105 -66.55 -25.23 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.8 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -46.94 88.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.611 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.5 -42.67 87.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.253 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.78 -37.01 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.919 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -26.07 68.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.317 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -88.78 -39.6 13.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -58.36 -41.59 85.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 29.8 mtt -64.61 -16.53 62.86 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.761 -176.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.43 -47.5 27.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.585 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -37.39 50.61 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.891 -178.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -70.71 -27.87 64.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.158 -179.755 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.31 -14.26 79.33 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.735 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -99.63 -69.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.729 0.3 . . . . 0.0 110.4 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.131 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.08 153.33 36.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.652 0.263 . . . . 0.0 110.606 177.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -93.58 -83.39 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.63 83.01 65.9 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.562 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.15 133.6 58.66 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.64 2.227 . . . . 0.0 111.664 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -77.91 94.24 4.53 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.831 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.523 HD13 ' HA ' ' A' ' 18' ' ' LYS . 1.3 mm? -68.97 -171.7 0.33 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.546 -179.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.498 ' HB3' HD21 ' A' ' 23' ' ' LEU . 4.2 m-85 -84.57 94.45 8.59 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.313 177.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.557 HD23 ' HG3' ' A' ' 11' ' ' GLU . 40.7 tp -80.82 121.65 26.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.026 -173.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -39.84 91.11 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.987 177.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.557 ' HG3' HD23 ' A' ' 9' ' ' LEU . 3.7 mt-10 70.61 -1.36 2.6 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.587 174.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.554 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 18.9 m-85 -104.46 -51.39 3.11 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 176.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.7 m -89.44 -16.6 30.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 165.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mt 66.08 43.19 2.98 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.581 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -97.66 145.54 26.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.739 175.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -99.06 111.86 24.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.78 0.324 . . . . 0.0 110.656 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.496 ' HG3' ' HA ' ' A' ' 23' ' ' LEU . 33.8 mmt -86.91 142.38 28.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.881 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.523 ' HA ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -83.95 -22.74 31.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.394 -174.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -135.98 146.71 47.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.647 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -61.49 -41.9 97.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -42.41 85.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.494 178.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.6 mt -65.17 -41.96 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.889 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' ' 8' ' ' TYR . 6.2 tp -61.56 -39.94 92.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.053 0.454 . . . . 0.0 110.683 177.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -66.01 -24.83 66.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.796 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -86.11 -30.35 22.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.468 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -68.03 -46.74 70.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.119 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.504 ' C ' ' H ' ' A' ' 29' ' ' LYS . 30.9 mtt -70.98 -179.41 2.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.539 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 27' ' ' MET . 0.0 OUTLIER 73.4 -23.94 0.21 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.375 0.67 . . . . 0.0 111.009 -177.354 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.504 ' H ' ' C ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -127.77 -5.08 5.77 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 173.127 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 2.6 t -54.86 100.56 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.408 173.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -18.07 89.0 0.01 OUTLIER Glycine 0 N--CA 1.465 0.632 0 CA-C-N 113.296 -1.774 . . . . 0.0 115.645 -168.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -95.74 -85.34 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.256 -0.878 . . . . 0.0 109.894 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -39.94 89.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.662 0.268 . . . . 0.0 110.871 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.57 137.64 54.65 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 175.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 70.12 155.6 0.15 Allowed Pre-proline 0 N--CA 1.466 0.373 0 O-C-N 123.959 0.787 . . . . 0.0 110.648 -175.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -63.32 -34.75 65.78 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.168 1.912 . . . . 0.0 111.761 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.2 tttt 57.97 57.2 4.22 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.05 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 7' ' ' LEU . 1.5 mm? 64.38 -164.7 0.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.684 -175.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.701 ' HB3' HD23 ' A' ' 23' ' ' LEU . 17.3 m-85 -121.44 96.72 5.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.912 -175.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.481 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 18.9 tp -80.66 136.44 36.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.822 -172.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.669 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 4.0 t -84.15 132.03 34.72 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 169.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -96.51 17.14 16.86 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.421 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -113.2 -46.85 3.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.744 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.9 p -112.26 -2.85 14.74 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.267 174.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.669 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 7.3 mt 56.17 65.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.885 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -129.66 145.05 51.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.332 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 58.0 m-85 -91.21 130.62 37.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.979 0.419 . . . . 0.0 111.133 -177.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.0 mmt -101.33 148.67 24.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.042 177.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -79.13 -29.35 43.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.577 -175.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.55 150.76 49.81 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 ttp85 -65.67 -35.68 81.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.983 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.428 HG21 ' N ' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -64.11 -25.3 68.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.764 178.134 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.428 ' N ' HG21 ' A' ' 21' ' ' THR . 90.8 mt -74.06 -44.28 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.074 175.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.701 HD23 ' HB3' ' A' ' 8' ' ' TYR . 37.7 tp -66.09 -32.57 74.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.622 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -65.77 -36.31 83.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -73.27 -19.25 61.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.251 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -90.59 -49.44 6.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.377 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.517 ' HE1' ' HA ' ' A' ' 10' ' ' CYS . 5.1 mtt -77.94 99.69 6.13 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 122.171 0.986 . . . . 0.0 110.473 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.621 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 171.15 -11.65 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 112.56 -2.109 . . . . 0.0 109.064 178.716 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.621 ' N ' ' HD3' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -125.7 -44.05 1.83 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.683 -177.758 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -58.16 -45.71 86.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.903 -177.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.89 9.65 51.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.925 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -119.65 -102.04 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.467 -0.777 . . . . 0.0 110.502 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 112.129 -0.388 . . . . 0.0 112.129 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.07 14.95 5.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.109 0.481 . . . . 0.0 110.64 179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.02 61.64 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.337 0.589 . . . . 0.0 109.73 176.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.6 mp -96.94 119.39 63.59 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.253 -178.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 24.2 Cg_exo -66.65 127.32 16.93 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.839 2.359 . . . . 0.0 112.377 -176.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.43 100.95 13.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.729 177.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.752 HD13 ' HA ' ' A' ' 18' ' ' LYS . 1.7 mm? -76.51 -167.42 0.8 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.842 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.681 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 5.3 m-85 -103.74 127.3 51.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.122 -177.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.578 HD13 ' HA ' ' A' ' 14' ' ' LEU . 44.7 tp -99.7 118.57 36.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.986 0.422 . . . . 0.0 111.326 -176.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -31.65 72.96 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.369 178.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 72.62 -14.88 0.53 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.212 -0.904 . . . . 0.0 113.349 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.687 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 55.5 m-85 -97.59 -54.23 3.19 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.449 ' HB2' ' HG2' ' A' ' 15' ' ' LYS . 2.1 m -87.76 -17.07 32.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 168.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.578 ' HA ' HD13 ' A' ' 9' ' ' LEU . 3.8 mt 62.81 47.7 4.45 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 114.24 -1.345 . . . . 0.0 110.611 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' HG2' ' HB2' ' A' ' 13' ' ' CYS . 27.9 mmtm -104.49 146.62 28.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.9 177.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -91.06 122.63 33.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.146 0.498 . . . . 0.0 111.159 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.662 ' HG3' HD21 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -97.62 143.72 28.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.788 177.685 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.752 ' HA ' HD13 ' A' ' 7' ' ' LEU . 3.1 mptt -79.47 -18.43 52.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.397 -176.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.0 p -149.35 168.92 22.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.776 0.322 . . . . 0.0 110.625 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -80.36 -16.82 53.65 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.398 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.27 -31.63 65.93 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 174.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.8 mt -79.81 -41.85 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.101 175.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.681 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -58.59 -42.17 87.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.693 178.183 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -69.03 -38.69 79.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.891 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -73.58 -33.78 64.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -69.62 -50.27 45.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.654 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.552 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . 28.9 mtp -68.36 178.45 1.96 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.813 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.524 ' HB2' ' O ' ' A' ' 27' ' ' MET . 0.3 OUTLIER 76.08 -52.71 0.62 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.783 -174.297 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -36.26 49.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.493 172.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.687 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 9.9 t -58.26 -64.53 0.88 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.634 176.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.42 60.02 4.92 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.336 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.65 54.14 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.059 0.457 . . . . 0.0 111.327 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 p90 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.543 176.059 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 112.063 -0.415 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -41.6 88.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.069 0.461 . . . . 0.0 110.622 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.64 147.89 23.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.933 175.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.506 ' O ' ' HE3' ' A' ' 6' ' ' LYS . 0.9 OUTLIER -64.61 120.33 64.8 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.053 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -71.69 -16.09 30.1 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.605 2.203 . . . . 0.0 112.458 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.506 ' HE3' ' O ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER 61.9 64.2 1.03 Allowed 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.662 -175.84 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.424 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 2.8 mm? 62.53 -142.72 0.4 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.289 -174.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.529 ' HB3' HD13 ' A' ' 23' ' ' LEU . 69.3 m-85 -123.0 100.29 6.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.005 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.852 ' HG ' ' CE1' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -73.19 128.17 34.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.305 -175.241 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -68.59 -49.45 59.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.198 176.774 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 4.6 mt-10 77.59 -10.36 1.36 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.328 177.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.455 ' HE2' ' HG2' ' A' ' 27' ' ' MET . 64.3 m-85 -88.86 -43.13 11.44 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.7 p -122.25 -0.78 9.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.921 172.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.492 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . 4.1 mt 62.35 53.53 2.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.516 177.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -118.94 121.6 40.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.078 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.852 ' CE1' ' HG ' ' A' ' 9' ' ' LEU . 16.8 m-85 -70.95 127.18 31.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.846 -176.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.718 ' HG3' ' HA ' ' A' ' 23' ' ' LEU . 36.3 mmt -98.1 150.16 21.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.49 174.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -26.39 35.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.621 -173.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.79 157.64 42.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.641 0.258 . . . . 0.0 111.081 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -43.07 93.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.58 178.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.428 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -62.49 -41.77 99.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.817 179.012 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.409 ' HA ' ' CD ' ' A' ' 25' ' ' GLN . 59.4 mt -64.92 -37.69 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.852 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.718 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -62.67 -38.74 91.51 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.83 -40.16 95.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.692 176.698 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.488 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 35.4 mt-30 -63.79 -43.95 94.8 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.243 0.544 . . . . 0.0 110.14 175.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.857 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 32.2 t60 -61.98 -41.59 98.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.834 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.455 ' HG2' ' HE2' ' A' ' 12' ' ' PHE . 26.9 mtt -65.43 -8.45 19.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.708 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.8 OUTLIER -78.7 -49.29 13.38 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.858 176.024 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.857 ' HD2' ' HA ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -70.92 -37.82 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.45 0.643 . . . . 0.0 110.074 176.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.73 52.17 2.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.441 176.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -179.29 -45.89 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.407 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 40.6 t-105 -94.36 -73.58 0.57 Allowed 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.496 ' O ' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.193 -0.908 . . . . 0.0 109.893 176.182 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 111.765 -0.534 . . . . 0.0 111.765 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.58 165.6 23.28 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 177.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? 63.02 25.38 14.99 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.552 0.533 . . . . 0.0 111.527 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 tp 58.44 81.82 0.24 Allowed Pre-proline 0 N--CA 1.464 0.269 0 O-C-N 123.574 0.546 . . . . 0.0 110.982 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -74.32 -151.49 0.04 OUTLIER 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.263 2.642 . . . . 0.0 113.051 -176.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mttm 67.67 57.05 0.55 Allowed 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.503 0.668 . . . . 0.0 109.381 -174.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.92 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 12.1 mt -116.15 -166.31 1.13 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.758 -175.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.648 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -93.71 129.93 39.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.584 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.3 tp -92.14 135.48 33.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.704 -174.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.56 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 2.6 t -83.67 131.14 34.96 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -85.41 6.13 27.94 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.082 -178.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.604 ' HB3' ' HE1' ' A' ' 33' ' ' PHE . 68.3 m-85 -111.98 -40.22 4.3 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.739 -175.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.6 p -124.75 -1.07 7.95 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.771 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.56 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 1.4 mt 55.56 60.39 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.944 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -127.05 157.44 39.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.941 173.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.92 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 64.2 m-85 -100.38 128.53 46.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.679 0.276 . . . . 0.0 111.584 -175.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.617 ' O ' ' HB3' ' A' ' 7' ' ' LEU . 5.7 mmt -92.17 147.61 22.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.627 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.484 ' HE2' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -79.62 -27.31 41.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.586 0.232 . . . . 0.0 111.46 -178.324 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 m -135.47 149.54 49.58 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.672 0.272 . . . . 0.0 110.564 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -66.51 -34.26 77.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.681 -175.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -27.64 68.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.922 0.391 . . . . 0.0 110.229 177.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.1 mt -74.46 -40.37 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.907 174.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.648 ' HG ' ' HB2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -62.79 -37.45 86.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.215 178.688 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -64.3 -55.53 20.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.232 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -63.64 -34.23 77.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.839 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -67.67 -51.89 44.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.03 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.61 ' HE2' HD13 ' A' ' 23' ' ' LEU . 24.9 mtm -62.04 -24.29 66.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.887 0.375 . . . . 0.0 111.526 -174.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -77.25 -21.56 53.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.728 179.587 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -95.48 -36.53 11.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.196 0.522 . . . . 0.0 110.824 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.69 -32.56 67.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.477 178.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.02 46.89 2.49 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.992 -178.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -119.69 28.78 7.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.018 0.437 . . . . 0.0 109.978 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.604 ' HE1' ' HB3' ' A' ' 12' ' ' PHE . 3.7 p90 . . . . . 0 C--O 1.253 1.247 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.593 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 112.421 -0.271 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -79.79 142.46 35.32 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 72.1 -72.17 0.12 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.782 0.677 . . . . 0.0 110.473 -175.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.22 129.99 23.84 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 173.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -53.56 -39.01 84.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.042 2.494 . . . . 0.0 112.473 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? 55.17 61.01 3.1 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.768 0.668 . . . . 0.0 110.737 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -105.67 -167.48 1.33 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.005 178.515 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.842 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -119.38 129.54 54.87 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.632 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.9 tp -93.03 145.09 24.64 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.673 -173.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.535 ' SG ' ' N ' ' A' ' 11' ' ' GLU . 19.1 t -76.49 -176.86 3.88 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 172.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.535 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -131.65 -7.89 3.63 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.797 -179.392 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.554 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 69.1 m-85 -113.26 -39.8 4.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.149 -175.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 p -115.75 -13.49 11.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.635 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mt 58.24 66.01 1.18 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.866 176.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -121.32 160.74 23.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.735 172.362 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -101.19 125.83 47.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 -177.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.648 ' HG2' HD23 ' A' ' 23' ' ' LEU . 7.1 mmt -93.32 143.25 26.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.21 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 -25.44 27.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.627 0.251 . . . . 0.0 111.318 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.435 ' HB2' HD13 ' A' ' 22' ' ' ILE . 1.6 m -124.99 143.71 50.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 177.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -66.04 -35.4 80.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.393 -175.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -34.6 75.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.089 0.471 . . . . 0.0 110.923 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.435 HD13 ' HB2' ' A' ' 19' ' ' SER . 41.4 mt -66.27 -50.28 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.836 176.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.842 ' HG ' ' HB2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -58.43 -42.97 88.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.277 178.577 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -58.31 -50.29 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.806 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -70.03 -36.65 75.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.894 0.378 . . . . 0.0 111.215 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -59.54 -41.19 89.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.133 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.5 mtt -66.75 -20.19 65.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.302 -176.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 13.91 33.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.906 0.384 . . . . 0.0 110.157 175.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -122.4 -30.54 3.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.408 0.623 . . . . 0.0 110.465 -178.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -81.13 -7.71 59.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.96 -178.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.75 59.99 0.34 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.695 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -132.86 1.44 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 111.365 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.131 -0.937 . . . . 0.0 110.12 -179.106 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.93 -18.07 54.44 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -72.77 -84.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.709 0.29 . . . . 0.0 110.481 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tp -157.04 117.49 2.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.513 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -64.77 -22.08 64.15 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.976 2.451 . . . . 0.0 112.031 -178.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.3 77.54 7.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.564 173.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.758 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 3.6 mm? -70.45 -159.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.119 -176.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.409 ' HD1' ' O ' ' A' ' 17' ' ' MET . 7.5 m-85 -84.96 100.81 11.88 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.904 174.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 10' ' ' CYS . 28.5 tp -80.41 143.48 33.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.415 -171.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 12.7 t -85.4 162.63 18.94 Favored 'General case' 0 N--CA 1.432 -1.348 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -111.0 -10.99 14.36 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.907 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.462 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 54.5 m-85 -100.94 -45.73 5.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -176.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.1 p -112.22 -16.69 12.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.887 0.375 . . . . 0.0 110.407 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt 63.61 49.37 3.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.669 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -103.49 148.49 25.88 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 172.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.758 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 42.6 m-85 -89.7 111.35 22.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.021 0.439 . . . . 0.0 110.54 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.513 ' HG3' HD21 ' A' ' 23' ' ' LEU . 31.5 mmt -85.15 136.69 33.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.661 178.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.686 ' HA ' HD12 ' A' ' 7' ' ' LEU . 2.1 mtpt -79.47 -8.66 59.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.262 -171.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 m -145.47 146.8 31.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.731 0.3 . . . . 0.0 110.772 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.7 ttp85 -64.77 -39.28 93.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.498 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -38.46 78.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.123 177.212 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.5 mt -71.62 -46.43 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.404 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.513 HD21 ' HG3' ' A' ' 17' ' ' MET . 0.1 OUTLIER -59.95 -38.47 82.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.091 179.724 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -60.34 -43.65 96.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.052 0.453 . . . . 0.0 110.93 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -73.73 -39.61 64.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.193 0.521 . . . . 0.0 110.233 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -58.83 -57.88 11.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.533 -177.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -25.55 66.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.283 -174.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -28.02 62.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.453 ' HZ1' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -91.07 -33.22 15.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.914 0.387 . . . . 0.0 110.875 178.771 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.462 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -69.5 -23.38 63.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.353 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.75 -19.99 69.87 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.991 176.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -86.31 -14.35 43.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.545 0.212 . . . . 0.0 110.547 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.621 -0.704 . . . . 0.0 111.768 177.151 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.761 ' HB3' HD22 ' A' ' 23' ' ' LEU . 90.4 m-85 -85.94 96.05 9.68 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-O 120.791 0.329 . . . . 0.0 110.861 -176.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 27.9 tp -78.01 130.61 36.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.592 -175.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -75.15 142.67 43.53 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 173.037 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -99.07 4.93 47.17 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.056 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.55 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 25.5 m-85 -107.79 -46.79 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.994 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.634 ' SG ' ' HG2' ' A' ' 15' ' ' LYS . 19.8 p -119.18 -8.83 10.08 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.828 0.347 . . . . 0.0 110.622 177.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.618 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 3.9 mt 62.94 72.29 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.978 176.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.634 ' HG2' ' SG ' ' A' ' 13' ' ' CYS . 7.2 mmtp -123.24 156.25 35.57 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 172.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -96.37 106.4 18.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.19 0.519 . . . . 0.0 111.417 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.473 ' O ' HD12 ' A' ' 7' ' ' LEU . 54.0 mmm -86.22 147.85 25.92 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.704 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -79.7 -37.77 34.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.441 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.413 ' OG ' HD12 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -120.07 150.04 41.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.743 0.306 . . . . 0.0 110.873 -178.458 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -38.17 89.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.339 176.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -48.14 82.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.977 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.413 HD12 ' OG ' ' A' ' 19' ' ' SER . 4.4 mt -65.7 -35.67 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.701 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.761 HD22 ' HB3' ' A' ' 8' ' ' TYR . 23.0 tp -63.25 -39.85 95.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.306 177.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -62.03 -43.46 98.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 177.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -63.65 -41.66 98.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.214 0.531 . . . . 0.0 110.382 176.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -63.74 -36.57 84.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.501 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.527 ' HG2' ' HE2' ' A' ' 12' ' ' PHE . 32.4 mtt -67.09 -19.29 65.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.246 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -43.23 33.55 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -45.04 91.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.906 177.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.556 -178.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.897 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 4.1 mm? . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.453 ' HB3' HD22 ' A' ' 23' ' ' LEU . 38.6 m-85 -89.8 86.13 6.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.743 175.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.485 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 2.5 tp -83.6 136.17 34.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.821 -176.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -156.33 0.04 OUTLIER 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 121.831 0.824 . . . . 0.0 111.726 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -137.57 -0.16 2.19 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.77 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.67 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 4.9 m-85 -114.78 -64.51 1.31 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.005 -177.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -90.32 -17.63 27.01 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.631 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 mt 57.42 74.33 0.42 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.269 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.521 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -128.93 143.68 50.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.296 178.522 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.897 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 37.1 m-85 -80.31 109.28 14.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.962 -177.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.601 ' O ' ' HB3' ' A' ' 7' ' ' LEU . 32.3 mmt -90.62 149.55 22.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.159 178.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -79.01 -25.7 43.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.847 -174.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -136.25 152.78 51.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.194 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 20' ' ' ARG . 1.1 ttt-85 -63.42 -41.92 98.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.097 176.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -37.79 82.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.224 177.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.0 mt -64.74 -49.75 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.999 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.453 HD22 ' HB3' ' A' ' 8' ' ' TYR . 49.2 tp -60.17 -36.05 76.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.051 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -43.79 95.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.916 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -78.17 -43.45 28.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -59.09 -38.19 78.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.769 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.2 mtt -59.69 -19.71 51.5 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -35.54 68.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.923 0.392 . . . . 0.0 110.29 176.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.86 -30.58 21.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.133 177.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.67 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 6.9 t . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.038 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 121.183 0.516 . . . . 0.0 111.087 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -112.81 85.69 2.22 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.904 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 14.3 tp -75.45 129.04 36.65 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.553 -172.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 1.4 t -75.78 111.71 11.41 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 171.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.83 18.51 1.57 Allowed 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.866 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.454 ' HE2' ' HG2' ' A' ' 27' ' ' MET . 15.0 m-85 -104.97 -46.69 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.754 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.24 -8.28 13.97 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.054 0.454 . . . . 0.0 110.207 173.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.495 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 8.4 mt 69.15 67.18 0.27 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.881 176.528 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -137.17 125.42 23.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.318 175.403 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 20.0 m-85 -72.68 116.82 13.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.039 -177.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.505 ' HG3' HD23 ' A' ' 23' ' ' LEU . 17.2 mmt -91.16 141.66 28.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 177.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HA ' HD12 ' A' ' 7' ' ' LEU . 1.2 mmtp -88.11 -0.18 56.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.761 -174.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.72 ' HB2' HD12 ' A' ' 22' ' ' ILE . 49.4 m -151.82 143.97 23.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.756 0.312 . . . . 0.0 111.186 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -65.45 -41.17 93.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.5 -26.96 65.72 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.057 0.456 . . . . 0.0 110.712 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.72 HD12 ' HB2' ' A' ' 19' ' ' SER . 5.2 mt -75.44 -38.87 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.88 175.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.505 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -66.34 -38.05 86.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.069 176.399 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -62.05 -42.82 99.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.468 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 22' ' ' ILE . 2.4 pt20 -75.56 -26.35 57.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.083 0.468 . . . . 0.0 110.215 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -72.91 -40.56 65.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.654 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.454 ' HG2' ' HE2' ' A' ' 12' ' ' PHE . 78.1 mtp -63.38 -20.31 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.464 -176.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -42.77 67.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.943 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -40.8 73.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.431 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.441 -0.882 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.376 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.459 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 1.1 mm? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.956 0.408 . . . . 0.0 110.054 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.484 ' HB3' HD12 ' A' ' 23' ' ' LEU . 19.3 m-85 -107.87 116.18 31.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.764 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.3 tp -95.87 135.22 37.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.169 -171.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 8.3 t -85.04 147.87 26.45 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 168.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -95.72 -7.39 37.47 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.115 -177.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -107.8 -28.29 9.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.483 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 83.3 m -101.35 -33.71 9.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.165 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.419 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.2 mt 62.66 34.79 14.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.712 -173.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.43 143.82 36.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.383 177.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.413 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 31.5 m-85 -88.62 117.7 27.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.182 0.515 . . . . 0.0 111.019 -177.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.423 ' HG3' HD23 ' A' ' 23' ' ' LEU . 12.0 mmt -82.64 137.59 34.45 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.725 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -79.64 -14.5 58.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.993 -173.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -134.67 152.15 51.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.872 0.368 . . . . 0.0 111.129 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 20' ' ' ARG . 2.3 ttt180 -65.91 -45.8 80.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.31 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -39.29 79.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.357 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.74 -55.19 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.826 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -63.69 -34.47 77.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.217 -179.031 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -60.09 -49.1 78.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.2 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -80.12 -24.8 40.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 110.528 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 27.4 t60 -64.33 -54.33 34.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.672 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.5 mtp -69.57 -12.72 61.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 111.211 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -36.61 40.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.084 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -40.34 20.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.415 177.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.768 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.8 mt . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.839 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 79.9 m-85 -84.76 102.8 13.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.502 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 46.3 tp -84.16 122.73 29.25 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.059 -176.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 6.8 t -80.69 112.79 18.39 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 173.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.09 9.28 1.65 Allowed 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.571 -178.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.556 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 22.1 m-85 -99.6 -42.37 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.35 -0.14 . . . . 0.0 111.118 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.8 p -122.04 -6.52 8.94 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.881 0.372 . . . . 0.0 111.142 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 mt 62.99 46.74 4.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.693 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.05 152.13 28.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.317 172.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.502 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 44.6 m-85 -99.84 127.45 46.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.151 0.5 . . . . 0.0 111.639 -176.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.938 ' HG3' HD23 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -100.89 139.62 36.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.83 177.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -31.21 45.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.578 -175.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.53 151.89 42.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.003 0.43 . . . . 0.0 111.401 -178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 20' ' ' ARG . 3.6 ttm180 -61.55 -42.41 98.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.8 t -61.55 -27.4 68.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.021 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.17 -52.12 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.938 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.3 OUTLIER -56.4 -44.73 80.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.143 178.327 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -60.6 -48.68 80.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.523 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -75.5 -36.66 60.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.832 0.349 . . . . 0.0 111.229 -177.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -63.44 -40.19 96.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.774 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.6 mtt -62.74 -15.76 54.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.734 -176.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -83.17 -26.61 30.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.743 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -90.93 -27.83 18.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 0.0 110.656 179.404 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.471 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.561 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.859 0.361 . . . . 0.0 110.128 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 97.8 m-85 -83.57 83.32 7.94 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-O 120.966 0.412 . . . . 0.0 110.539 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.437 HD13 ' CE1' ' A' ' 16' ' ' TYR . 23.9 tp -73.1 126.38 29.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.116 -176.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.509 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -63.08 -37.82 88.74 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.208 178.699 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' HG2' HD23 ' A' ' 9' ' ' LEU . 10.3 mt-10 75.31 -7.64 1.73 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.874 0.87 . . . . 0.0 112.886 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.522 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 42.7 m-85 -104.59 -48.51 3.78 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.509 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 5.5 m -89.09 -16.11 32.31 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 167.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 11' ' ' GLU . 8.4 mt 61.48 45.43 8.38 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.787 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -110.31 146.06 36.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.167 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.437 ' CE1' HD13 ' A' ' 9' ' ' LEU . 45.4 m-85 -87.2 112.01 21.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -178.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.689 ' HG3' HD23 ' A' ' 23' ' ' LEU . 19.3 mmt -88.12 145.37 25.97 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -30.11 23.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.769 -173.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m -123.23 155.6 36.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.8 0.333 . . . . 0.0 111.536 -176.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.517 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -62.64 -46.71 86.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.133 177.075 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.21 -44.82 92.25 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.771 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.55 HG22 ' HB3' ' A' ' 17' ' ' MET . 13.9 mt -62.37 -40.31 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.13 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.689 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -66.68 -47.8 71.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.068 0.461 . . . . 0.0 110.358 178.682 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -64.05 -42.41 97.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.268 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -71.74 -25.09 61.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.656 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -67.23 -43.62 81.53 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.0 mtt -61.87 -15.83 45.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.562 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.26 -30.6 48.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.169 176.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.62 -33.61 16.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.214 0.531 . . . . 0.0 109.651 176.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 5.1 t . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.166 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.48 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 3.1 mm? . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.752 0.31 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.603 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 9.4 m-85 -99.52 139.41 35.22 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.671 ' HG ' ' HE1' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -105.6 120.23 41.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.746 0.308 . . . . 0.0 111.538 -175.23 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -63.75 -39.24 93.79 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.005 177.767 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 56.4 mt-10 73.75 -4.95 2.12 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.558 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.661 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 32.0 m-85 -98.42 -48.39 5.05 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 173.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 4.5 m -90.5 -18.62 24.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.45 167.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.588 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . 4.3 mt 64.72 42.11 4.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 114.394 -1.275 . . . . 0.0 109.859 -174.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' HE2' ' HB3' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -106.27 151.23 25.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.564 -179.553 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.671 ' HE1' ' HG ' ' A' ' 9' ' ' LEU . 2.7 m-30 -96.03 107.98 20.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.587 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.626 ' HE3' ' HB2' ' A' ' 23' ' ' LEU . 2.1 mpp? -77.06 147.27 36.8 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.496 174.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -22.4 49.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.864 0.364 . . . . 0.0 110.957 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -143.39 157.6 44.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.368 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -30.88 65.6 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -33.83 76.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.64 174.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mt -68.84 -40.5 81.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.203 176.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.626 ' HB2' ' HE3' ' A' ' 17' ' ' MET . 41.5 tp -60.95 -34.08 74.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 178.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -57.82 -40.14 79.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 26.3 mm-40 -79.28 -37.3 38.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.318 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 46.4 t60 -57.93 -44.04 86.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.598 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . 1.2 mtt -71.12 -6.59 40.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.729 -175.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.44 -45.17 56.0 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 171.248 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.43 -33.15 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.679 174.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.661 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.792 174.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 110.432 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.469 ' CD2' ' HG3' ' A' ' 20' ' ' ARG . 1.9 m-85 -84.53 94.16 8.51 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 173.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.451 HD11 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -93.83 135.29 35.29 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.007 -167.788 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.5 t -74.48 122.73 23.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 170.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.54 -3.95 37.09 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -104.88 -33.18 8.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 110.686 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 84.6 m -96.66 -27.85 14.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.381 177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.451 ' HA ' HD11 ' A' ' 9' ' ' LEU . 5.3 mt 60.24 47.94 8.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.182 -172.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.38 137.78 54.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.043 179.008 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.419 ' CG ' ' HB2' ' A' ' 7' ' ' LEU . 6.5 m-30 -81.82 104.15 11.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.412 -177.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.506 ' SD ' HG22 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -84.01 144.86 28.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 174.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -27.78 25.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -171.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -126.36 140.05 52.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.469 ' HG3' ' CD2' ' A' ' 8' ' ' TYR . 4.1 ttt180 -70.09 -25.91 63.74 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.38 -176.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.45 -42.3 92.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.317 0.58 . . . . 0.0 109.952 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.506 HG22 ' SD ' ' A' ' 17' ' ' MET . 24.2 mt -62.83 -44.53 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.248 176.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.496 HD23 ' SD ' ' A' ' 17' ' ' MET . 0.1 OUTLIER -66.96 -39.01 87.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.017 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -49.37 75.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.837 0.351 . . . . 0.0 110.388 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -60.7 -38.08 83.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.472 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -68.25 -52.7 30.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.389 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.8 mtt -64.21 -23.66 67.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.808 0.337 . . . . 0.0 111.334 -174.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -81.16 -10.36 59.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.431 179.148 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.64 -39.59 6.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.016 176.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.105 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.522 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.282 0 CA-C-O 121.184 0.516 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.522 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 17.4 m-85 -109.99 109.98 20.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.689 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.482 HD13 ' CE1' ' A' ' 16' ' ' TYR . 10.7 tp -88.57 137.97 31.85 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.241 -169.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 t -83.08 132.81 35.1 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 167.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.24 -2.0 26.01 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.567 -177.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -121.04 -37.82 2.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.788 0.328 . . . . 0.0 111.329 -177.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.458 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 78.0 m -91.51 -33.96 14.97 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.095 0.474 . . . . 0.0 109.758 176.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mt 60.02 37.53 21.17 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.241 -1.345 . . . . 0.0 110.098 -174.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 9.9 mmtp -100.82 153.29 19.6 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.537 -1.21 . . . . 0.0 109.24 174.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.482 ' CE1' HD13 ' A' ' 9' ' ' LEU . 47.9 m-85 -89.95 108.35 19.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.039 0.447 . . . . 0.0 111.541 -175.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.86 ' HG3' HD23 ' A' ' 23' ' ' LEU . 20.4 mmt -79.77 139.35 37.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.619 176.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -34.02 44.09 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -171.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -121.54 145.98 47.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.739 0.304 . . . . 0.0 110.962 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 -60.46 -45.11 94.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.077 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -23.65 66.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.795 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 mt -74.88 -39.64 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.131 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.86 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.2 OUTLIER -66.55 -48.33 70.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.186 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.87 -25.53 67.23 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.726 -179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -74.28 -42.14 60.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.168 0.509 . . . . 0.0 109.829 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -68.95 -52.07 33.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.503 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -15.96 63.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.915 -171.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -84.71 -16.14 42.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.17 0.51 . . . . 0.0 109.759 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.18 -41.73 10.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.412 176.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.445 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.169 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.481 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.234 0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.348 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.623 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 5.5 m-85 -103.36 100.03 9.9 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.621 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.8 tp -78.55 119.35 21.71 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -63.78 -32.19 73.62 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.325 178.851 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 33.3 mt-10 70.42 1.34 3.58 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.692 173.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.488 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 61.6 m-85 -112.53 -52.75 2.76 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 2.7 m -90.42 -17.64 26.84 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 168.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mt 66.37 37.06 4.93 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.548 -1.206 . . . . 0.0 111.313 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.69 156.94 16.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.397 172.422 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.452 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 51.5 m-85 -106.72 123.58 48.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.942 0.401 . . . . 0.0 110.952 -177.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.784 ' HG3' ' HA ' ' A' ' 23' ' ' LEU . 5.6 mmt -89.75 148.82 23.02 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -79.17 -39.69 32.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.748 0.309 . . . . 0.0 110.612 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -128.39 160.54 31.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.093 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -36.35 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.412 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -45.15 80.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.127 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.4 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 7.4 mt -67.79 -40.86 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.636 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.784 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -62.83 -43.59 98.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.484 -178.321 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -67.01 -35.87 80.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.173 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 22' ' ' ILE . 1.9 pt20 -77.29 -32.54 55.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.761 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.698 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 10.1 t-80 -66.23 -44.87 82.55 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.51 ' HA ' ' CB ' ' A' ' 30' ' ' CYS . 24.7 mtt -63.61 -14.7 54.15 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -174.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -55.13 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.245 173.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.698 ' HD3' ' HA ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -79.16 -11.12 59.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 177.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.51 ' CB ' ' HA ' ' A' ' 27' ' ' MET . 36.9 t . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.731 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 30.6 mt . . . . . 0 CA--C 1.531 0.216 0 CA-C-O 120.842 0.353 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.469 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 21.4 m-85 -97.42 128.48 44.25 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 tp -100.17 136.03 40.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 t -86.74 138.05 31.94 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 167.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -84.56 -6.56 59.38 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.848 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.508 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 6.3 m-85 -109.36 -29.17 8.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -176.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 88.7 m -99.68 -35.65 9.75 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.18 0.514 . . . . 0.0 109.908 175.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt 63.93 36.06 10.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.105 -1.407 . . . . 0.0 109.477 -171.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 150.28 32.04 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.409 176.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.731 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 36.5 m-85 -92.77 131.41 37.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.012 0.434 . . . . 0.0 111.631 -175.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.593 ' HG3' HD13 ' A' ' 23' ' ' LEU . 2.6 mmt -98.98 154.36 18.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.007 178.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.65 -33.72 46.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -131.78 158.19 41.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.849 0.357 . . . . 0.0 110.995 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -66.85 -38.74 86.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.541 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.504 ' HA ' ' HB2' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -70.59 -26.17 63.39 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.112 -179.425 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.7 mt -66.71 -43.4 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 173.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.593 HD13 ' HG3' ' A' ' 17' ' ' MET . 59.1 tp -71.93 -32.54 67.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.72 177.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 21' ' ' THR . 7.8 mt-30 -56.53 -50.6 71.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.98 0.419 . . . . 0.0 110.348 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -71.35 -34.45 70.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.554 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 33.7 t60 -63.47 -52.56 60.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.457 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -27.8 69.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.096 -175.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -10.09 59.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.94 178.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -38.89 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.141 0.496 . . . . 0.0 110.453 176.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.427 ' HA ' HD13 ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.449 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -123.94 106.65 10.59 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 -179.557 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.678 HD22 ' HE1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -96.08 157.86 15.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.234 0.54 . . . . 0.0 111.391 -173.681 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 5.6 t -81.92 143.14 31.87 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.489 174.021 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -75.36 -11.15 59.99 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.837 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.409 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 4.5 m-85 -112.82 -27.58 8.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.395 -178.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 73.9 m -102.58 -34.84 8.95 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.155 0.503 . . . . 0.0 110.185 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.569 ' HA ' HD12 ' A' ' 9' ' ' LEU . 1.0 OUTLIER 62.51 29.02 17.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.782 -178.129 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 122.77 43.75 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.951 177.164 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.678 ' HE1' HD22 ' A' ' 9' ' ' LEU . 14.2 m-30 -62.95 117.89 7.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.626 -177.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.64 ' HG3' HD23 ' A' ' 23' ' ' LEU . 23.5 mmt -93.31 146.78 23.46 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 174.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -79.81 -23.66 41.91 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 111.784 0.291 . . . . 0.0 111.784 -172.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.47 142.7 50.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.696 0.284 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.31 -37.95 87.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.393 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.53 -43.18 84.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.248 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 10.7 mt -67.18 -47.13 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.682 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.64 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.1 OUTLIER -62.7 -40.38 96.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.196 -178.284 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -62.81 -50.56 70.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.045 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -66.08 -22.34 66.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 0.0 111.02 179.058 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -75.62 -54.23 7.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.011 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 40.3 mtp -64.26 -19.54 65.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.553 -174.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -26.34 64.52 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.745 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.496 ' HG3' ' N ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -98.03 -28.4 13.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.153 0.501 . . . . 0.0 110.687 177.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.496 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.726 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.511 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.64 ' HB3' HD22 ' A' ' 23' ' ' LEU . 49.9 m-85 -122.17 92.95 3.84 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.433 177.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.0 tp -73.03 123.69 24.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.39 -173.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HB3' ' H ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -61.27 -45.67 93.54 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.482 178.649 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 80.15 -20.76 0.36 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.886 1.274 . . . . 0.0 111.967 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.429 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 19.8 m-85 -80.26 -51.23 9.17 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.5 p -112.66 -1.06 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.415 172.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mt 62.95 55.43 2.0 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.051 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.427 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -103.98 143.87 32.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.284 175.136 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -98.53 112.08 24.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.941 0.4 . . . . 0.0 110.626 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.7 mmm -91.47 150.09 21.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.605 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.06 -31.01 44.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.291 -175.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.7 154.05 47.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.324 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ttm105 -66.55 -25.23 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.8 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -46.94 88.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.611 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.5 -42.67 87.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.253 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 8' ' ' TYR . 14.4 tp -58.78 -37.01 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.919 177.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -26.07 68.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.317 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -88.78 -39.6 13.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -58.36 -41.59 85.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 29.8 mtt -64.61 -16.53 62.86 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.761 -176.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.43 -47.5 27.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.585 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.45 ' H ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -77.58 -37.39 50.61 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.891 -178.495 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.158 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mm? . . . . . 0 C--O 1.233 0.229 0 CA-C-O 121.195 0.521 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.576 ' HB3' HD22 ' A' ' 23' ' ' LEU . 4.2 m-85 -84.57 94.45 8.59 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.313 177.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.7 tp -80.82 121.65 26.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.026 -173.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -60.97 -39.84 91.11 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.987 177.588 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 70.61 -1.36 2.6 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.587 174.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.559 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 18.9 m-85 -104.46 -51.39 3.11 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 176.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.473 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 2.7 m -89.44 -16.6 30.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 165.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mt 66.08 43.19 2.98 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.581 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.438 ' HG2' ' HB2' ' A' ' 13' ' ' CYS . 16.9 mmtp -97.66 145.54 26.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.739 175.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -99.06 111.86 24.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.78 0.324 . . . . 0.0 110.656 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.502 ' HG3' ' HA ' ' A' ' 23' ' ' LEU . 33.8 mmt -86.91 142.38 28.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.881 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.95 -22.74 31.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.394 -174.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -135.98 146.71 47.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.647 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -61.49 -41.9 97.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -42.41 85.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.494 178.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.6 mt -65.17 -41.96 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.889 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 8' ' ' TYR . 6.2 tp -61.56 -39.94 92.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.053 0.454 . . . . 0.0 110.683 177.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -66.01 -24.83 66.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.796 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -86.11 -30.35 22.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.468 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -68.03 -46.74 70.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.119 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.476 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 30.9 mtt -70.98 -179.41 2.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.539 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 27' ' ' MET . 0.0 OUTLIER 73.4 -23.94 0.21 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.375 0.67 . . . . 0.0 111.009 -177.354 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -127.77 -5.08 5.77 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 173.127 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 2.6 t . . . . . 0 N--CA 1.443 -0.778 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.408 173.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.448 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 1.5 mm? . . . . . 0 C--O 1.235 0.334 0 CA-C-O 121.286 0.565 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 23' ' ' LEU . 17.3 m-85 -121.44 96.72 5.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.912 -175.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.486 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 18.9 tp -80.66 136.44 36.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.822 -172.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.667 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 4.0 t -84.15 132.03 34.72 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 169.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -96.51 17.14 16.86 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.421 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -113.2 -46.85 3.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.744 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.9 p -112.26 -2.85 14.74 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.267 174.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.667 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 7.3 mt 56.17 65.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.885 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -129.66 145.05 51.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.332 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 58.0 m-85 -91.21 130.62 37.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.979 0.419 . . . . 0.0 111.133 -177.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.0 mmt -101.33 148.67 24.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.042 177.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -79.13 -29.35 43.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.577 -175.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.55 150.76 49.81 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 ttp85 -65.67 -35.68 81.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.983 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -25.3 68.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.764 178.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.8 mt -74.06 -44.28 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.074 175.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 8' ' ' TYR . 37.7 tp -66.09 -32.57 74.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.622 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -65.77 -36.31 83.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -73.27 -19.25 61.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.251 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -90.59 -49.44 6.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.377 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.1 mtt -77.94 99.69 6.13 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 122.171 0.986 . . . . 0.0 110.473 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.63 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 171.15 -11.65 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 112.56 -2.109 . . . . 0.0 109.064 178.716 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.63 ' N ' ' HD3' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -125.7 -44.05 1.83 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.683 -177.758 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.903 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 18' ' ' LYS . 1.7 mm? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.008 0.432 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.702 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 5.3 m-85 -103.74 127.3 51.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.122 -177.057 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.524 HD13 ' HE1' ' A' ' 16' ' ' TYR . 44.7 tp -99.7 118.57 36.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.986 0.422 . . . . 0.0 111.326 -176.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -64.58 -31.65 72.96 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.369 178.019 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 72.62 -14.88 0.53 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.212 -0.904 . . . . 0.0 113.349 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.696 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 55.5 m-85 -97.59 -54.23 3.19 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.497 ' HB2' ' HG2' ' A' ' 15' ' ' LYS . 2.1 m -87.76 -17.07 32.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 168.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mt 62.81 47.7 4.45 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 114.24 -1.345 . . . . 0.0 110.611 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.497 ' HG2' ' HB2' ' A' ' 13' ' ' CYS . 27.9 mmtm -104.49 146.62 28.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.9 177.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.524 ' HE1' HD13 ' A' ' 9' ' ' LEU . 2.9 m-30 -91.06 122.63 33.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.146 0.498 . . . . 0.0 111.159 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.618 ' HG3' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -97.62 143.72 28.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.788 177.685 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.503 ' HA ' HD12 ' A' ' 7' ' ' LEU . 3.1 mptt -79.47 -18.43 52.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.397 -176.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.0 p -149.35 168.92 22.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.776 0.322 . . . . 0.0 110.625 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -80.36 -16.82 53.65 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.398 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.27 -31.63 65.93 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 174.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.8 mt -79.81 -41.85 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.101 175.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.702 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -58.59 -42.17 87.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.693 178.183 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -69.03 -38.69 79.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.891 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -73.58 -33.78 64.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -69.62 -50.27 45.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.654 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.579 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . 28.9 mtp -68.36 178.45 1.96 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.813 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 27' ' ' MET . 0.3 OUTLIER 76.08 -52.71 0.62 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.783 -174.297 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -36.26 49.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.493 172.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.696 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 9.9 t . . . . . 0 C--O 1.235 0.336 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.634 176.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.499 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 2.8 mm? . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.499 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 69.3 m-85 -123.0 100.29 6.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.005 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.87 ' HG ' ' CE1' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -73.19 128.17 34.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.305 -175.241 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -68.59 -49.45 59.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.198 176.774 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 4.6 mt-10 77.59 -10.36 1.36 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.328 177.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.445 ' HE2' ' HG2' ' A' ' 27' ' ' MET . 64.3 m-85 -88.86 -43.13 11.44 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.7 p -122.25 -0.78 9.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.921 172.319 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . 4.1 mt 62.35 53.53 2.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.516 177.198 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -118.94 121.6 40.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.078 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.87 ' CE1' ' HG ' ' A' ' 9' ' ' LEU . 16.8 m-85 -70.95 127.18 31.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.846 -176.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.729 ' HG3' ' HA ' ' A' ' 23' ' ' LEU . 36.3 mmt -98.1 150.16 21.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.49 174.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -26.39 35.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.621 -173.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.79 157.64 42.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.641 0.258 . . . . 0.0 111.081 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -43.07 93.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.58 178.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -62.49 -41.77 99.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.817 179.012 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.418 ' HA ' ' CD ' ' A' ' 25' ' ' GLN . 59.4 mt -64.92 -37.69 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.852 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.729 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -62.67 -38.74 91.51 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.799 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.83 -40.16 95.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.692 176.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 35.4 mt-30 -63.79 -43.95 94.8 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.243 0.544 . . . . 0.0 110.14 175.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.876 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 32.2 t60 -61.98 -41.59 98.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.834 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.445 ' HG2' ' HE2' ' A' ' 12' ' ' PHE . 26.9 mtt -65.43 -8.45 19.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.708 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.8 OUTLIER -78.7 -49.29 13.38 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.858 176.024 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.876 ' HD2' ' HA ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -70.92 -37.82 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.45 0.643 . . . . 0.0 110.074 176.917 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.441 176.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.928 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 12.1 mt . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.674 0.273 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.663 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -93.71 129.93 39.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.584 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.3 tp -92.14 135.48 33.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.704 -174.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.551 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 2.6 t -83.67 131.14 34.96 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -85.41 6.13 27.94 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.082 -178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.412 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 68.3 m-85 -111.98 -40.22 4.3 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.739 -175.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.6 p -124.75 -1.07 7.95 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.771 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 1.4 mt 55.56 60.39 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.944 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -127.05 157.44 39.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.941 173.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.928 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 64.2 m-85 -100.38 128.53 46.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.679 0.276 . . . . 0.0 111.584 -175.465 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.63 ' O ' ' HB3' ' A' ' 7' ' ' LEU . 5.7 mmt -92.17 147.61 22.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.627 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -27.31 41.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.586 0.232 . . . . 0.0 111.46 -178.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 m -135.47 149.54 49.58 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.672 0.272 . . . . 0.0 110.564 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -66.51 -34.26 77.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.681 -175.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -27.64 68.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.922 0.391 . . . . 0.0 110.229 177.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.1 mt -74.46 -40.37 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.907 174.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.663 ' HG ' ' HB2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -62.79 -37.45 86.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.215 178.688 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -64.3 -55.53 20.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.232 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -63.64 -34.23 77.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.839 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -67.67 -51.89 44.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.03 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.418 ' HG3' HD22 ' A' ' 23' ' ' LEU . 24.9 mtm -62.04 -24.29 66.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.887 0.375 . . . . 0.0 111.526 -174.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -77.25 -21.56 53.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.728 179.587 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -95.48 -36.53 11.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.196 0.522 . . . . 0.0 110.824 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.477 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.863 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -119.38 129.54 54.87 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.632 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.9 tp -93.03 145.09 24.64 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.673 -173.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.535 ' SG ' ' N ' ' A' ' 11' ' ' GLU . 19.1 t -76.49 -176.86 3.88 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 172.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.535 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -131.65 -7.89 3.63 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.797 -179.392 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.569 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 69.1 m-85 -113.26 -39.8 4.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.149 -175.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 p -115.75 -13.49 11.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.635 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mt 58.24 66.01 1.18 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.866 176.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.457 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -121.32 160.74 23.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.735 172.362 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.404 ' HB3' ' CB ' ' A' ' 7' ' ' LEU . 73.2 m-85 -101.19 125.83 47.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 -177.036 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.559 ' CG ' HD23 ' A' ' 23' ' ' LEU . 7.1 mmt -93.32 143.25 26.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.21 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 -25.44 27.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.627 0.251 . . . . 0.0 111.318 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -124.99 143.71 50.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 20' ' ' ARG . 5.7 ttp85 -66.04 -35.4 80.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.393 -175.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -34.6 75.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.089 0.471 . . . . 0.0 110.923 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.4 mt -66.27 -50.28 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.836 176.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.863 ' HG ' ' HB2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -58.43 -42.97 88.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.277 178.577 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -58.31 -50.29 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.806 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -70.03 -36.65 75.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.894 0.378 . . . . 0.0 111.215 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -59.54 -41.19 89.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.133 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.5 mtt -66.75 -20.19 65.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.302 -176.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 13.91 33.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.906 0.384 . . . . 0.0 110.157 175.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -122.4 -30.54 3.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.408 0.623 . . . . 0.0 110.465 -178.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.96 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.77 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 3.6 mm? . . . . . 0 C--O 1.234 0.264 0 CA-C-O 121.381 0.61 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.443 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 7.5 m-85 -84.96 100.81 11.88 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.904 174.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 10' ' ' CYS . 28.5 tp -80.41 143.48 33.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.415 -171.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.422 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 12.7 t -85.4 162.63 18.94 Favored 'General case' 0 N--CA 1.432 -1.348 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.082 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -111.0 -10.99 14.36 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.907 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.474 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 54.5 m-85 -100.94 -45.73 5.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -176.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.1 p -112.22 -16.69 12.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.887 0.375 . . . . 0.0 110.407 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt 63.61 49.37 3.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.669 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -103.49 148.49 25.88 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 172.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.77 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 42.6 m-85 -89.7 111.35 22.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.021 0.439 . . . . 0.0 110.54 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.527 ' HG3' HD23 ' A' ' 23' ' ' LEU . 31.5 mmt -85.15 136.69 33.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.661 178.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -79.47 -8.66 59.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.262 -171.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 m -145.47 146.8 31.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.731 0.3 . . . . 0.0 110.772 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.7 ttp85 -64.77 -39.28 93.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.498 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -38.46 78.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.123 177.212 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.5 mt -71.62 -46.43 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.404 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.527 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.1 OUTLIER -59.95 -38.47 82.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.091 179.724 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -60.34 -43.65 96.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.052 0.453 . . . . 0.0 110.93 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -73.73 -39.61 64.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.193 0.521 . . . . 0.0 110.233 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -58.83 -57.88 11.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.533 -177.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -25.55 66.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.283 -174.324 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -28.02 62.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.07 -33.22 15.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.914 0.387 . . . . 0.0 110.875 178.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.02 -13.02 29.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.772 0.32 . . . . 0.0 110.402 177.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.53 35.82 22.78 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.71 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.88 113.22 65.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.03 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.44 122.33 8.54 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.405 2.07 . . . . 0.0 112.106 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.61 112.55 13.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.836 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER -94.51 -176.15 3.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.151 -178.072 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.761 ' HB3' HD22 ' A' ' 23' ' ' LEU . 90.4 m-85 -85.94 96.05 9.68 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-O 120.791 0.329 . . . . 0.0 110.861 -176.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 27.9 tp -78.01 130.61 36.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.592 -175.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -75.15 142.67 43.53 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 173.037 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -99.07 4.93 47.17 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.056 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.55 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 25.5 m-85 -107.79 -46.79 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.994 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.634 ' SG ' ' HG2' ' A' ' 15' ' ' LYS . 19.8 p -119.18 -8.83 10.08 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.828 0.347 . . . . 0.0 110.622 177.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.618 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 3.9 mt 62.94 72.29 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.978 176.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.634 ' HG2' ' SG ' ' A' ' 13' ' ' CYS . 7.2 mmtp -123.24 156.25 35.57 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 172.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -96.37 106.4 18.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.19 0.519 . . . . 0.0 111.417 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.473 ' O ' HD12 ' A' ' 7' ' ' LEU . 54.0 mmm -86.22 147.85 25.92 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.704 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -79.7 -37.77 34.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.441 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.413 ' OG ' HD12 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -120.07 150.04 41.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.743 0.306 . . . . 0.0 110.873 -178.458 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -38.17 89.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.339 176.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -48.14 82.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.977 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.413 HD12 ' OG ' ' A' ' 19' ' ' SER . 4.4 mt -65.7 -35.67 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.701 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.761 HD22 ' HB3' ' A' ' 8' ' ' TYR . 23.0 tp -63.25 -39.85 95.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.306 177.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -62.03 -43.46 98.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 177.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -63.65 -41.66 98.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.214 0.531 . . . . 0.0 110.382 176.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -63.74 -36.57 84.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.501 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.527 ' HG2' ' HE2' ' A' ' 12' ' ' PHE . 32.4 mtt -67.09 -19.29 65.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.246 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -43.23 33.55 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -45.04 91.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.906 177.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -82.47 -2.12 52.36 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.556 -178.624 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.68 11.84 38.73 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.938 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.483 ' CE3' ' HA ' ' A' ' 32' ' ' TRP . 3.4 m95 -85.13 61.01 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.118 0.485 . . . . 0.0 110.307 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.0 p90 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.339 -179.746 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 111.752 -0.539 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -59.69 2.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.799 0.333 . . . . 0.0 110.324 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.56 -80.15 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.265 176.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.616 ' HG ' ' HD2' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -115.87 155.88 47.22 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 173.57 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.616 ' HD2' ' HG ' ' A' ' 4' ' ' LEU . 12.5 Cg_endo -56.02 131.36 45.48 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.152 1.901 . . . . 0.0 111.283 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -78.23 84.97 4.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.03 -175.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.897 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 4.1 mm? -82.31 -145.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.737 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.453 ' HB3' HD22 ' A' ' 23' ' ' LEU . 38.6 m-85 -89.8 86.13 6.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.743 175.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.485 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 2.5 tp -83.6 136.17 34.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.821 -176.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -156.33 0.04 OUTLIER 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 121.831 0.824 . . . . 0.0 111.726 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -137.57 -0.16 2.19 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.77 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.67 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 4.9 m-85 -114.78 -64.51 1.31 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.005 -177.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -90.32 -17.63 27.01 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.631 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 mt 57.42 74.33 0.42 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.269 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.521 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -128.93 143.68 50.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.296 178.522 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.897 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 37.1 m-85 -80.31 109.28 14.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.962 -177.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.601 ' O ' ' HB3' ' A' ' 7' ' ' LEU . 32.3 mmt -90.62 149.55 22.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.159 178.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -79.01 -25.7 43.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.847 -174.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -136.25 152.78 51.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.194 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 20' ' ' ARG . 1.1 ttt-85 -63.42 -41.92 98.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.097 176.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -37.79 82.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.224 177.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.0 mt -64.74 -49.75 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.999 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.453 HD22 ' HB3' ' A' ' 8' ' ' TYR . 49.2 tp -60.17 -36.05 76.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.051 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -43.79 95.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.916 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -78.17 -43.45 28.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -59.09 -38.19 78.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.769 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.2 mtt -59.69 -19.71 51.5 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -35.54 68.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.923 0.392 . . . . 0.0 110.29 176.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' HA ' ' HB2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -86.86 -30.58 21.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.133 177.133 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.67 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 6.9 t -60.22 -47.69 84.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.038 177.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.38 -6.09 89.02 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.492 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.452 ' HB2' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -83.55 -39.21 20.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.822 0.344 . . . . 0.0 111.016 179.05 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.089 -179.868 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.34 -37.21 77.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.819 0.342 . . . . 0.0 110.559 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -130.89 -176.97 4.17 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.85 122.57 87.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 177.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -76.35 136.91 18.24 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.342 2.028 . . . . 0.0 112.465 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.62 92.0 4.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.466 177.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -90.04 -166.0 1.48 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.183 0.516 . . . . 0.0 111.087 -175.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -112.81 85.69 2.22 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.904 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 14.3 tp -75.45 129.04 36.65 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.553 -172.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 1.4 t -75.78 111.71 11.41 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 171.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.83 18.51 1.57 Allowed 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.866 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.454 ' HE2' ' HG2' ' A' ' 27' ' ' MET . 15.0 m-85 -104.97 -46.69 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.754 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.24 -8.28 13.97 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.054 0.454 . . . . 0.0 110.207 173.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.495 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 8.4 mt 69.15 67.18 0.27 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.881 176.528 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -137.17 125.42 23.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.318 175.403 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 20.0 m-85 -72.68 116.82 13.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.039 -177.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.505 ' HG3' HD23 ' A' ' 23' ' ' LEU . 17.2 mmt -91.16 141.66 28.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 177.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HA ' HD12 ' A' ' 7' ' ' LEU . 1.2 mmtp -88.11 -0.18 56.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.761 -174.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.72 ' HB2' HD12 ' A' ' 22' ' ' ILE . 49.4 m -151.82 143.97 23.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.756 0.312 . . . . 0.0 111.186 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -65.45 -41.17 93.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.5 -26.96 65.72 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.057 0.456 . . . . 0.0 110.712 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.72 HD12 ' HB2' ' A' ' 19' ' ' SER . 5.2 mt -75.44 -38.87 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.88 175.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.505 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -66.34 -38.05 86.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.069 176.399 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -62.05 -42.82 99.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.468 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 22' ' ' ILE . 2.4 pt20 -75.56 -26.35 57.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.083 0.468 . . . . 0.0 110.215 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -72.91 -40.56 65.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.654 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.454 ' HG2' ' HE2' ' A' ' 12' ' ' PHE . 78.1 mtp -63.38 -20.31 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.464 -176.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -42.77 67.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.943 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -40.8 73.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.431 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.71 28.08 1.61 Allowed 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.376 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.51 54.9 0.11 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.113 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.0 m95 -70.04 -32.8 71.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.905 0.383 . . . . 0.0 110.421 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.4 t80 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.486 -0.769 . . . . 0.0 110.377 177.33 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 111.733 -0.547 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.2 -171.25 2.36 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -36.13 83.29 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.244 0.545 . . . . 0.0 109.736 177.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -84.01 136.07 41.62 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.735 175.013 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 22.6 Cg_exo -65.52 154.38 73.96 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.484 2.123 . . . . 0.0 111.598 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.27 87.03 4.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.032 0.444 . . . . 0.0 110.313 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.459 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 1.1 mm? -83.88 -154.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.054 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.484 ' HB3' HD12 ' A' ' 23' ' ' LEU . 19.3 m-85 -107.87 116.18 31.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.764 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.3 tp -95.87 135.22 37.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.169 -171.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 8.3 t -85.04 147.87 26.45 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 168.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -95.72 -7.39 37.47 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.115 -177.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -107.8 -28.29 9.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.483 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 83.3 m -101.35 -33.71 9.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.165 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.2 mt 62.66 34.79 14.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.712 -173.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.43 143.82 36.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.383 177.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.413 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 31.5 m-85 -88.62 117.7 27.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.182 0.515 . . . . 0.0 111.019 -177.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.423 ' HG3' HD23 ' A' ' 23' ' ' LEU . 12.0 mmt -82.64 137.59 34.45 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.725 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -79.64 -14.5 58.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.993 -173.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -134.67 152.15 51.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.872 0.368 . . . . 0.0 111.129 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 20' ' ' ARG . 2.3 ttt180 -65.91 -45.8 80.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.31 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -39.29 79.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.357 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.74 -55.19 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.826 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -63.69 -34.47 77.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.217 -179.031 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -60.09 -49.1 78.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.2 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -80.12 -24.8 40.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 110.528 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 27.4 t60 -64.33 -54.33 34.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.672 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.5 mtp -69.57 -12.72 61.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 111.211 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -36.61 40.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.084 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -40.34 20.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.415 177.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -23.71 64.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.768 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.69 -13.57 71.8 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.475 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -81.71 69.24 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.152 0.501 . . . . 0.0 110.2 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.231 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 112.054 -0.418 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.95 47.4 1.38 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.079 0.466 . . . . 0.0 110.996 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -29.35 17.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.267 0.556 . . . . 0.0 110.062 177.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.08 157.66 76.46 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.454 176.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -68.74 -178.04 1.8 Allowed 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.765 2.31 . . . . 0.0 112.316 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 81.36 2.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.375 0.607 . . . . 0.0 111.158 -179.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.8 mt -103.58 -144.52 0.36 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.813 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.839 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 79.9 m-85 -84.76 102.8 13.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.502 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 46.3 tp -84.16 122.73 29.25 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.059 -176.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 6.8 t -80.69 112.79 18.39 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 173.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.09 9.28 1.65 Allowed 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.571 -178.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.556 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 22.1 m-85 -99.6 -42.37 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.35 -0.14 . . . . 0.0 111.118 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.8 p -122.04 -6.52 8.94 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.881 0.372 . . . . 0.0 111.142 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 mt 62.99 46.74 4.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.693 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.05 152.13 28.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.317 172.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.502 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 44.6 m-85 -99.84 127.45 46.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.151 0.5 . . . . 0.0 111.639 -176.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.938 ' HG3' HD23 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -100.89 139.62 36.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.83 177.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -31.21 45.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.578 -175.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.53 151.89 42.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.003 0.43 . . . . 0.0 111.401 -178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 20' ' ' ARG . 3.6 ttm180 -61.55 -42.41 98.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.8 t -61.55 -27.4 68.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.021 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.17 -52.12 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.938 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.3 OUTLIER -56.4 -44.73 80.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.143 178.327 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -60.6 -48.68 80.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.523 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -75.5 -36.66 60.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.832 0.349 . . . . 0.0 111.229 -177.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -63.44 -40.19 96.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.774 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.6 mtt -62.74 -15.76 54.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.734 -176.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -83.17 -26.61 30.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.743 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -90.93 -27.83 18.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 0.0 110.656 179.404 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.471 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -78.09 -56.01 4.82 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.715 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -94.36 66.13 1.5 Allowed Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 173.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.444 ' CD1' ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -63.63 -41.4 98.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.835 0.35 . . . . 0.0 111.275 -175.769 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.843 -0.598 . . . . 0.0 110.285 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 111.895 -0.482 . . . . 0.0 111.895 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.49 43.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.814 0.34 . . . . 0.0 111.101 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -139.79 154.07 47.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.489 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.23 104.7 49.98 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.151 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -67.2 -73.97 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.795 2.33 . . . . 0.0 112.649 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.44 162.44 33.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -150.53 -178.95 6.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.859 0.361 . . . . 0.0 110.128 176.657 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 97.8 m-85 -83.57 83.32 7.94 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-O 120.966 0.412 . . . . 0.0 110.539 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.437 HD13 ' CE1' ' A' ' 16' ' ' TYR . 23.9 tp -73.1 126.38 29.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.116 -176.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.509 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -63.08 -37.82 88.74 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.208 178.699 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' HG2' HD23 ' A' ' 9' ' ' LEU . 10.3 mt-10 75.31 -7.64 1.73 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.874 0.87 . . . . 0.0 112.886 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.522 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 42.7 m-85 -104.59 -48.51 3.78 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.509 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 5.5 m -89.09 -16.11 32.31 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 167.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 11' ' ' GLU . 8.4 mt 61.48 45.43 8.38 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.787 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -110.31 146.06 36.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.167 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.437 ' CE1' HD13 ' A' ' 9' ' ' LEU . 45.4 m-85 -87.2 112.01 21.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -178.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.689 ' HG3' HD23 ' A' ' 23' ' ' LEU . 19.3 mmt -88.12 145.37 25.97 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -30.11 23.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.769 -173.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m -123.23 155.6 36.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.8 0.333 . . . . 0.0 111.536 -176.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.517 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -62.64 -46.71 86.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.133 177.075 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.21 -44.82 92.25 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.771 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.55 HG22 ' HB3' ' A' ' 17' ' ' MET . 13.9 mt -62.37 -40.31 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.13 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.689 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -66.68 -47.8 71.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.068 0.461 . . . . 0.0 110.358 178.682 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -64.05 -42.41 97.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.268 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -71.74 -25.09 61.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.656 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -67.23 -43.62 81.53 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.0 mtt -61.87 -15.83 45.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.562 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.26 -30.6 48.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.169 176.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.62 -33.61 16.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.214 0.531 . . . . 0.0 109.651 176.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 5.1 t -59.2 -41.21 88.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.166 177.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.6 -9.2 87.1 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.305 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -90.03 75.41 7.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.058 0.456 . . . . 0.0 110.632 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.8 p90 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.6 -0.714 . . . . 0.0 109.984 179.449 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 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 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -39.56 83.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.861 0.362 . . . . 0.0 111.177 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -92.9 70.85 4.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.992 0.425 . . . . 0.0 110.188 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.614 ' HG ' ' HD2' ' A' ' 5' ' ' PRO . 1.8 tp -97.5 146.33 31.2 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.146 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.614 ' HD2' ' HG ' ' A' ' 4' ' ' LEU . 19.6 Cg_endo -59.38 137.38 77.95 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.435 2.09 . . . . 0.0 111.94 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.7 102.55 13.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.168 0.508 . . . . 0.0 110.077 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.48 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 3.1 mm? -86.31 -153.15 0.19 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.234 -178.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.603 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 9.4 m-85 -99.52 139.41 35.22 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.671 ' HG ' ' HE1' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -105.6 120.23 41.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.746 0.308 . . . . 0.0 111.538 -175.23 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -63.75 -39.24 93.79 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.005 177.767 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 56.4 mt-10 73.75 -4.95 2.12 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.558 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.661 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 32.0 m-85 -98.42 -48.39 5.05 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 173.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 4.5 m -90.5 -18.62 24.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.45 167.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.588 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . 4.3 mt 64.72 42.11 4.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 114.394 -1.275 . . . . 0.0 109.859 -174.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' HE2' ' HB3' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -106.27 151.23 25.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.564 -179.553 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.671 ' HE1' ' HG ' ' A' ' 9' ' ' LEU . 2.7 m-30 -96.03 107.98 20.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.587 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.626 ' HE3' ' HB2' ' A' ' 23' ' ' LEU . 2.1 mpp? -77.06 147.27 36.8 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.496 174.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -22.4 49.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.864 0.364 . . . . 0.0 110.957 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -143.39 157.6 44.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.368 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -30.88 65.6 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -33.83 76.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.64 174.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mt -68.84 -40.5 81.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.203 176.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.626 ' HB2' ' HE3' ' A' ' 17' ' ' MET . 41.5 tp -60.95 -34.08 74.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 178.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -57.82 -40.14 79.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 26.3 mm-40 -79.28 -37.3 38.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.318 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 46.4 t60 -57.93 -44.04 86.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.598 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . 1.2 mtt -71.12 -6.59 40.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.729 -175.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.44 -45.17 56.0 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 171.248 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.43 -33.15 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.679 174.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.661 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -84.36 36.12 0.57 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.792 174.32 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.89 59.0 0.16 Allowed Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.864 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -35.79 54.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.887 0.375 . . . . 0.0 111.021 -176.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.843 -0.598 . . . . 0.0 110.025 -179.841 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -84.02 53.79 2.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.353 0.596 . . . . 0.0 110.98 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.35 140.71 49.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.251 175.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -71.71 118.9 70.72 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.84 0.352 . . . . 0.0 110.65 -178.075 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 3.7 Cg_endo -87.72 -153.32 0.04 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.375 2.716 . . . . 0.0 111.505 -178.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.91 156.39 27.31 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 175.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -131.31 -166.87 1.77 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.818 0.342 . . . . 0.0 110.432 -177.372 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.469 ' CD2' ' HG3' ' A' ' 20' ' ' ARG . 1.9 m-85 -84.53 94.16 8.51 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 173.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.451 HD11 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -93.83 135.29 35.29 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.007 -167.788 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.5 t -74.48 122.73 23.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 170.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.54 -3.95 37.09 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -104.88 -33.18 8.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 110.686 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 84.6 m -96.66 -27.85 14.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.381 177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.451 ' HA ' HD11 ' A' ' 9' ' ' LEU . 5.3 mt 60.24 47.94 8.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.182 -172.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.38 137.78 54.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.043 179.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.419 ' CG ' ' HB2' ' A' ' 7' ' ' LEU . 6.5 m-30 -81.82 104.15 11.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.412 -177.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.506 ' SD ' HG22 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -84.01 144.86 28.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 174.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -27.78 25.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -171.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -126.36 140.05 52.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.469 ' HG3' ' CD2' ' A' ' 8' ' ' TYR . 4.1 ttt180 -70.09 -25.91 63.74 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.38 -176.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.45 -42.3 92.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.317 0.58 . . . . 0.0 109.952 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.506 HG22 ' SD ' ' A' ' 17' ' ' MET . 24.2 mt -62.83 -44.53 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.248 176.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.496 HD23 ' SD ' ' A' ' 17' ' ' MET . 0.1 OUTLIER -66.96 -39.01 87.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.017 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -49.37 75.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.837 0.351 . . . . 0.0 110.388 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -60.7 -38.08 83.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.472 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -68.25 -52.7 30.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.389 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.8 mtt -64.21 -23.66 67.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.808 0.337 . . . . 0.0 111.334 -174.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -81.16 -10.36 59.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.431 179.148 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.64 -39.59 6.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.016 176.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.84 -51.66 60.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.105 177.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.8 50.84 4.37 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.878 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.74 -43.48 65.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.984 0.421 . . . . 0.0 110.797 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.212 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.037 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.87 97.77 7.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.963 0.411 . . . . 0.0 110.643 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 3' ' ' ARG . 1.7 tpp180 -119.82 125.92 49.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.251 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -131.91 103.57 14.34 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.34 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.433 ' HB2' HD22 ' A' ' 7' ' ' LEU . 21.5 Cg_exo -65.38 144.5 80.31 Favored 'Trans proline' 0 C--O 1.238 0.507 0 C-N-CA 122.499 2.133 . . . . 0.0 111.767 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -90.82 84.52 5.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.594 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.522 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -76.54 -148.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.981 -177.334 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.522 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 17.4 m-85 -109.99 109.98 20.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.689 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.482 HD13 ' CE1' ' A' ' 16' ' ' TYR . 10.7 tp -88.57 137.97 31.85 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.241 -169.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 t -83.08 132.81 35.1 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 167.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.24 -2.0 26.01 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.567 -177.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -121.04 -37.82 2.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.788 0.328 . . . . 0.0 111.329 -177.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.458 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 78.0 m -91.51 -33.96 14.97 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.095 0.474 . . . . 0.0 109.758 176.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mt 60.02 37.53 21.17 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.241 -1.345 . . . . 0.0 110.098 -174.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 9.9 mmtp -100.82 153.29 19.6 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.537 -1.21 . . . . 0.0 109.24 174.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.482 ' CE1' HD13 ' A' ' 9' ' ' LEU . 47.9 m-85 -89.95 108.35 19.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.039 0.447 . . . . 0.0 111.541 -175.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.86 ' HG3' HD23 ' A' ' 23' ' ' LEU . 20.4 mmt -79.77 139.35 37.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.619 176.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -34.02 44.09 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -171.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -121.54 145.98 47.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.739 0.304 . . . . 0.0 110.962 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 -60.46 -45.11 94.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.077 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -23.65 66.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.795 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 mt -74.88 -39.64 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.131 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.86 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.2 OUTLIER -66.55 -48.33 70.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.186 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.87 -25.53 67.23 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.726 -179.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -74.28 -42.14 60.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.168 0.509 . . . . 0.0 109.829 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -68.95 -52.07 33.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.503 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -15.96 63.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.915 -171.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -84.71 -16.14 42.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.17 0.51 . . . . 0.0 109.759 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.18 -41.73 10.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.412 176.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -52.26 39.7 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.169 176.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.47 60.06 4.32 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 121.148 -0.549 . . . . 0.0 111.919 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -72.37 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.389 -0.815 . . . . 0.0 110.025 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.997 0 N-CA-C 111.694 -0.562 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -40.77 98.01 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 6.8 mmm180 -106.64 123.82 48.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.326 172.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.505 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.3 mt 71.49 135.07 0.04 OUTLIER Pre-proline 0 N--CA 1.465 0.294 0 O-C-N 123.904 0.753 . . . . 0.0 111.325 -177.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 6.8 Cg_exo -73.98 -179.25 4.46 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.024 2.482 . . . . 0.0 112.052 -178.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.27 101.64 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.087 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.481 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -122.32 -149.95 0.44 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.348 -178.487 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.623 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 5.5 m-85 -103.36 100.03 9.9 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.621 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.8 tp -78.55 119.35 21.71 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -63.78 -32.19 73.62 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.325 178.851 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 33.3 mt-10 70.42 1.34 3.58 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.692 173.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.488 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 61.6 m-85 -112.53 -52.75 2.76 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 2.7 m -90.42 -17.64 26.84 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 168.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mt 66.37 37.06 4.93 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.548 -1.206 . . . . 0.0 111.313 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.69 156.94 16.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.397 172.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.452 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 51.5 m-85 -106.72 123.58 48.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.942 0.401 . . . . 0.0 110.952 -177.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.784 ' HG3' ' HA ' ' A' ' 23' ' ' LEU . 5.6 mmt -89.75 148.82 23.02 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -79.17 -39.69 32.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.748 0.309 . . . . 0.0 110.612 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -128.39 160.54 31.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.093 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -36.35 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.412 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -45.15 80.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.127 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.4 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 7.4 mt -67.79 -40.86 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.636 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.784 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -62.83 -43.59 98.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.484 -178.321 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -67.01 -35.87 80.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.173 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 22' ' ' ILE . 1.9 pt20 -77.29 -32.54 55.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.761 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.698 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 25.1 t60 -66.23 -44.87 82.55 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.51 ' HA ' ' CB ' ' A' ' 30' ' ' CYS . 24.7 mtt -63.61 -14.7 54.15 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -174.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -55.13 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.245 173.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.698 ' HD3' ' HA ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -79.16 -11.12 59.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 177.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.51 ' CB ' ' HA ' ' A' ' 27' ' ' MET . 36.9 t -63.53 -50.72 68.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -91.04 19.11 48.18 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.311 176.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.606 ' HB2' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -80.24 -11.42 59.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.016 0.436 . . . . 0.0 110.571 177.631 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.385 -0.817 . . . . 0.0 109.619 179.203 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.742 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.97 60.92 1.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.388 . . . . 0.0 110.919 -177.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.84 70.27 10.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.046 0.451 . . . . 0.0 110.133 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.467 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -122.3 129.3 25.14 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.314 -178.74 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 11.4 Cg_exo -69.08 -77.55 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.74 2.293 . . . . 0.0 111.631 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.24 99.13 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.229 0.538 . . . . 0.0 110.499 176.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.731 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 30.6 mt -84.84 -149.24 0.11 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.976 -177.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.469 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 21.4 m-85 -97.42 128.48 44.25 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 tp -100.17 136.03 40.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 t -86.74 138.05 31.94 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 167.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -84.56 -6.56 59.38 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.848 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.508 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 6.3 m-85 -109.36 -29.17 8.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -176.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 88.7 m -99.68 -35.65 9.75 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.18 0.514 . . . . 0.0 109.908 175.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt 63.93 36.06 10.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.105 -1.407 . . . . 0.0 109.477 -171.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 150.28 32.04 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.409 176.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.731 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 36.5 m-85 -92.77 131.41 37.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.012 0.434 . . . . 0.0 111.631 -175.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.593 ' HG3' HD13 ' A' ' 23' ' ' LEU . 2.6 mmt -98.98 154.36 18.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.007 178.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.65 -33.72 46.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -131.78 158.19 41.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.849 0.357 . . . . 0.0 110.995 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -66.85 -38.74 86.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.541 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.504 ' HA ' ' HB2' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -70.59 -26.17 63.39 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.112 -179.425 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.7 mt -66.71 -43.4 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 173.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.593 HD13 ' HG3' ' A' ' 17' ' ' MET . 59.1 tp -71.93 -32.54 67.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.72 177.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 21' ' ' THR . 7.8 mt-30 -56.53 -50.6 71.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.98 0.419 . . . . 0.0 110.348 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -71.35 -34.45 70.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.554 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 33.7 t60 -63.47 -52.56 60.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.457 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -27.8 69.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.096 -175.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -10.09 59.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.94 178.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -38.89 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.141 0.496 . . . . 0.0 110.453 176.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.43 -39.45 71.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.945 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.61 35.38 3.36 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.55 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.14 62.34 6.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.014 0.435 . . . . 0.0 110.619 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.208 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 112.034 -0.426 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.06 145.34 53.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.915 0.388 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.57 60.89 1.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.275 -178.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.768 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -79.76 128.38 74.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.431 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -75.64 -92.11 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 122.437 2.091 . . . . 0.0 112.277 -177.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.47 115.85 27.21 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.141 0.496 . . . . 0.0 110.105 176.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.768 HD23 ' HB3' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -135.88 -156.31 0.7 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.029 -178.515 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.449 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -123.94 106.65 10.59 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 -179.557 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.678 HD22 ' HE1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -96.08 157.86 15.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.234 0.54 . . . . 0.0 111.391 -173.681 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 5.6 t -81.92 143.14 31.87 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.489 174.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -75.36 -11.15 59.99 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.837 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.409 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 4.5 m-85 -112.82 -27.58 8.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.395 -178.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 73.9 m -102.58 -34.84 8.95 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.155 0.503 . . . . 0.0 110.185 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.569 ' HA ' HD12 ' A' ' 9' ' ' LEU . 1.0 OUTLIER 62.51 29.02 17.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.782 -178.129 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 122.77 43.75 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.951 177.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.678 ' HE1' HD22 ' A' ' 9' ' ' LEU . 14.2 m-30 -62.95 117.89 7.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.626 -177.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.64 ' HG3' HD23 ' A' ' 23' ' ' LEU . 23.5 mmt -93.31 146.78 23.46 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 174.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -79.81 -23.66 41.91 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 111.784 0.291 . . . . 0.0 111.784 -172.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.47 142.7 50.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.696 0.284 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.31 -37.95 87.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.393 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.53 -43.18 84.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.248 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 10.7 mt -67.18 -47.13 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.682 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.64 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.1 OUTLIER -62.7 -40.38 96.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.196 -178.284 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -62.81 -50.56 70.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.045 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -66.08 -22.34 66.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 0.0 111.02 179.058 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -75.62 -54.23 7.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.011 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 40.3 mtp -64.26 -19.54 65.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.553 -174.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -26.34 64.52 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.745 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.496 ' HG3' ' N ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -98.03 -28.4 13.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.153 0.501 . . . . 0.0 110.687 177.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.496 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -74.42 -33.75 63.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.726 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.77 50.93 3.69 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.768 -178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.446 ' HB3' ' H ' ' A' ' 33' ' ' PHE . 5.6 m95 -105.36 -156.17 0.56 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 177.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.446 ' H ' ' HB3' ' A' ' 32' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.989 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.204 -0.359 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 m -102.52 92.84 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.741 0.305 . . . . 0.0 111.088 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.86 -35.57 18.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 174.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.645 ' HG ' ' HD2' ' A' ' 5' ' ' PRO . 0.9 OUTLIER -94.56 138.76 22.23 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.996 172.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.645 ' HD2' ' HG ' ' A' ' 4' ' ' LEU . 19.5 Cg_endo -62.91 -87.46 0.0 OUTLIER 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.41 2.073 . . . . 0.0 111.953 -178.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.516 ' HE3' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -163.56 150.7 12.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.044 176.256 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.511 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -140.47 -136.33 0.11 Allowed 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.127 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.64 ' HB3' HD22 ' A' ' 23' ' ' LEU . 49.9 m-85 -122.17 92.95 3.84 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.433 177.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.0 tp -73.03 123.69 24.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.39 -173.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HB3' ' H ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -61.27 -45.67 93.54 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.482 178.649 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 80.15 -20.76 0.36 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.886 1.274 . . . . 0.0 111.967 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.429 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 19.8 m-85 -80.26 -51.23 9.17 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.5 p -112.66 -1.06 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.415 172.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mt 62.95 55.43 2.0 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.051 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -103.98 143.87 32.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.284 175.136 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -98.53 112.08 24.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.941 0.4 . . . . 0.0 110.626 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.7 mmm -91.47 150.09 21.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.605 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.06 -31.01 44.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.291 -175.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.7 154.05 47.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.324 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ttm105 -66.55 -25.23 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.8 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -46.94 88.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.611 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.5 -42.67 87.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.253 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 8' ' ' TYR . 14.4 tp -58.78 -37.01 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.919 177.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -26.07 68.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.317 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -88.78 -39.6 13.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -58.36 -41.59 85.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 29.8 mtt -64.61 -16.53 62.86 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.761 -176.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.43 -47.5 27.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.585 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' H ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -77.58 -37.39 50.61 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.891 -178.495 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -70.71 -27.87 64.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.158 -179.755 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.31 -14.26 79.33 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.735 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -99.63 -69.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.729 0.3 . . . . 0.0 110.4 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.131 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.08 153.33 36.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.652 0.263 . . . . 0.0 110.606 177.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -93.58 -83.39 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.63 83.01 65.9 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.562 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.15 133.6 58.66 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.64 2.227 . . . . 0.0 111.664 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -77.91 94.24 4.53 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.831 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -68.97 -171.7 0.33 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.546 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.576 ' HB3' HD22 ' A' ' 23' ' ' LEU . 4.2 m-85 -84.57 94.45 8.59 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.313 177.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.7 tp -80.82 121.65 26.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.026 -173.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -60.97 -39.84 91.11 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.987 177.588 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 70.61 -1.36 2.6 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.587 174.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.559 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 18.9 m-85 -104.46 -51.39 3.11 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 176.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.473 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 2.7 m -89.44 -16.6 30.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 165.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mt 66.08 43.19 2.98 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.581 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.438 ' HG2' ' HB2' ' A' ' 13' ' ' CYS . 16.9 mmtp -97.66 145.54 26.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.739 175.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -99.06 111.86 24.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.78 0.324 . . . . 0.0 110.656 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.502 ' HG3' ' HA ' ' A' ' 23' ' ' LEU . 33.8 mmt -86.91 142.38 28.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.881 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.95 -22.74 31.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.394 -174.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -135.98 146.71 47.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.647 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -61.49 -41.9 97.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -42.41 85.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.494 178.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.6 mt -65.17 -41.96 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.889 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 8' ' ' TYR . 6.2 tp -61.56 -39.94 92.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.053 0.454 . . . . 0.0 110.683 177.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -66.01 -24.83 66.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.796 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -86.11 -30.35 22.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.468 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -68.03 -46.74 70.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.119 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.476 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 30.9 mtt -70.98 -179.41 2.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.539 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 27' ' ' MET . 0.0 OUTLIER 73.4 -23.94 0.21 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.375 0.67 . . . . 0.0 111.009 -177.354 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -127.77 -5.08 5.77 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 173.127 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 2.6 t -54.86 100.56 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.408 173.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -18.07 89.0 0.01 OUTLIER Glycine 0 N--CA 1.465 0.632 0 CA-C-N 113.296 -1.774 . . . . 0.0 115.645 -168.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -95.74 -85.34 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.256 -0.878 . . . . 0.0 109.894 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -39.94 89.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.662 0.268 . . . . 0.0 110.871 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.57 137.64 54.65 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 175.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 70.12 155.6 0.15 Allowed Pre-proline 0 N--CA 1.466 0.373 0 O-C-N 123.959 0.787 . . . . 0.0 110.648 -175.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -63.32 -34.75 65.78 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.168 1.912 . . . . 0.0 111.761 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.2 tttt 57.97 57.2 4.22 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.05 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.448 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 1.5 mm? 64.38 -164.7 0.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.684 -175.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 23' ' ' LEU . 17.3 m-85 -121.44 96.72 5.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.912 -175.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.486 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 18.9 tp -80.66 136.44 36.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.822 -172.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.667 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 4.0 t -84.15 132.03 34.72 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 169.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -96.51 17.14 16.86 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.421 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -113.2 -46.85 3.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.744 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.9 p -112.26 -2.85 14.74 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.267 174.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.667 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 7.3 mt 56.17 65.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.885 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -129.66 145.05 51.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.332 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 58.0 m-85 -91.21 130.62 37.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.979 0.419 . . . . 0.0 111.133 -177.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.0 mmt -101.33 148.67 24.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.042 177.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -79.13 -29.35 43.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.577 -175.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.55 150.76 49.81 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 ttp85 -65.67 -35.68 81.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.983 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -25.3 68.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.764 178.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.8 mt -74.06 -44.28 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.074 175.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 8' ' ' TYR . 37.7 tp -66.09 -32.57 74.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.622 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -65.77 -36.31 83.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -73.27 -19.25 61.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.251 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -90.59 -49.44 6.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.377 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.1 mtt -77.94 99.69 6.13 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 122.171 0.986 . . . . 0.0 110.473 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.63 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 171.15 -11.65 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 112.56 -2.109 . . . . 0.0 109.064 178.716 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.63 ' N ' ' HD3' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -125.7 -44.05 1.83 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.683 -177.758 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -58.16 -45.71 86.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.903 -177.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.89 9.65 51.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.925 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -119.65 -102.04 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.467 -0.777 . . . . 0.0 110.502 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 112.129 -0.388 . . . . 0.0 112.129 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.07 14.95 5.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.109 0.481 . . . . 0.0 110.64 179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.02 61.64 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.337 0.589 . . . . 0.0 109.73 176.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.6 mp -96.94 119.39 63.59 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.253 -178.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 24.2 Cg_exo -66.65 127.32 16.93 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.839 2.359 . . . . 0.0 112.377 -176.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.43 100.95 13.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.729 177.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 18' ' ' LYS . 1.7 mm? -76.51 -167.42 0.8 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.842 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.702 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 5.3 m-85 -103.74 127.3 51.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.122 -177.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.524 HD13 ' HE1' ' A' ' 16' ' ' TYR . 44.7 tp -99.7 118.57 36.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.986 0.422 . . . . 0.0 111.326 -176.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -64.58 -31.65 72.96 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.369 178.019 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 72.62 -14.88 0.53 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.212 -0.904 . . . . 0.0 113.349 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.696 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 55.5 m-85 -97.59 -54.23 3.19 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.497 ' HB2' ' HG2' ' A' ' 15' ' ' LYS . 2.1 m -87.76 -17.07 32.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 168.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mt 62.81 47.7 4.45 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 114.24 -1.345 . . . . 0.0 110.611 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.497 ' HG2' ' HB2' ' A' ' 13' ' ' CYS . 27.9 mmtm -104.49 146.62 28.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.9 177.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.524 ' HE1' HD13 ' A' ' 9' ' ' LEU . 2.9 m-30 -91.06 122.63 33.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.146 0.498 . . . . 0.0 111.159 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.618 ' HG3' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -97.62 143.72 28.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.788 177.685 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.503 ' HA ' HD12 ' A' ' 7' ' ' LEU . 3.1 mptt -79.47 -18.43 52.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.397 -176.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.0 p -149.35 168.92 22.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.776 0.322 . . . . 0.0 110.625 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -80.36 -16.82 53.65 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.398 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.27 -31.63 65.93 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 174.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.8 mt -79.81 -41.85 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.101 175.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.702 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -58.59 -42.17 87.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.693 178.183 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -69.03 -38.69 79.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.891 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -73.58 -33.78 64.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -69.62 -50.27 45.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.654 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.579 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . 28.9 mtp -68.36 178.45 1.96 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.813 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 27' ' ' MET . 0.3 OUTLIER 76.08 -52.71 0.62 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.783 -174.297 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -36.26 49.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.493 172.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.696 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 9.9 t -58.26 -64.53 0.88 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.634 176.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.42 60.02 4.92 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.336 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.65 54.14 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.059 0.457 . . . . 0.0 111.327 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 p90 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.543 176.059 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 112.063 -0.415 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -41.6 88.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.069 0.461 . . . . 0.0 110.622 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.64 147.89 23.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.933 175.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.521 ' O ' ' HE3' ' A' ' 6' ' ' LYS . 0.9 OUTLIER -64.61 120.33 64.8 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.053 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -71.69 -16.09 30.1 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.605 2.203 . . . . 0.0 112.458 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.521 ' HE3' ' O ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER 61.9 64.2 1.03 Allowed 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.662 -175.84 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.499 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 2.8 mm? 62.53 -142.72 0.4 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.289 -174.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.499 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 69.3 m-85 -123.0 100.29 6.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.005 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.87 ' HG ' ' CE1' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -73.19 128.17 34.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.305 -175.241 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -68.59 -49.45 59.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.198 176.774 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 4.6 mt-10 77.59 -10.36 1.36 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.328 177.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.445 ' HE2' ' HG2' ' A' ' 27' ' ' MET . 64.3 m-85 -88.86 -43.13 11.44 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.7 p -122.25 -0.78 9.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.921 172.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . 4.1 mt 62.35 53.53 2.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.516 177.198 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -118.94 121.6 40.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.078 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.87 ' CE1' ' HG ' ' A' ' 9' ' ' LEU . 16.8 m-85 -70.95 127.18 31.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.846 -176.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.729 ' HG3' ' HA ' ' A' ' 23' ' ' LEU . 36.3 mmt -98.1 150.16 21.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.49 174.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -26.39 35.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.621 -173.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.79 157.64 42.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.641 0.258 . . . . 0.0 111.081 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -43.07 93.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.58 178.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -62.49 -41.77 99.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.817 179.012 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.418 ' HA ' ' CD ' ' A' ' 25' ' ' GLN . 59.4 mt -64.92 -37.69 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.852 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.729 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -62.67 -38.74 91.51 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.799 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.83 -40.16 95.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.692 176.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 35.4 mt-30 -63.79 -43.95 94.8 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.243 0.544 . . . . 0.0 110.14 175.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.876 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 32.2 t60 -61.98 -41.59 98.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.834 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.445 ' HG2' ' HE2' ' A' ' 12' ' ' PHE . 26.9 mtt -65.43 -8.45 19.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.708 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.8 OUTLIER -78.7 -49.29 13.38 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.858 176.024 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.876 ' HD2' ' HA ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -70.92 -37.82 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.45 0.643 . . . . 0.0 110.074 176.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.73 52.17 2.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.441 176.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -179.29 -45.89 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.421 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 40.6 t-105 -94.36 -73.58 0.57 Allowed 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.193 -0.908 . . . . 0.0 109.893 176.182 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 111.765 -0.534 . . . . 0.0 111.765 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.58 165.6 23.28 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 177.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? 63.02 25.38 14.99 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.552 0.533 . . . . 0.0 111.527 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 tp 58.44 81.82 0.24 Allowed Pre-proline 0 N--CA 1.464 0.269 0 O-C-N 123.574 0.546 . . . . 0.0 110.982 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -74.32 -151.49 0.04 OUTLIER 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.263 2.642 . . . . 0.0 113.051 -176.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mttm 67.67 57.05 0.55 Allowed 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.503 0.668 . . . . 0.0 109.381 -174.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.928 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 12.1 mt -116.15 -166.31 1.13 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.758 -175.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.663 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -93.71 129.93 39.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.584 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.3 tp -92.14 135.48 33.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.704 -174.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.551 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 2.6 t -83.67 131.14 34.96 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -85.41 6.13 27.94 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.082 -178.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.599 ' HB3' ' HE1' ' A' ' 33' ' ' PHE . 68.3 m-85 -111.98 -40.22 4.3 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.739 -175.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.6 p -124.75 -1.07 7.95 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.771 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 1.4 mt 55.56 60.39 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.944 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -127.05 157.44 39.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.941 173.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.928 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 64.2 m-85 -100.38 128.53 46.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.679 0.276 . . . . 0.0 111.584 -175.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.63 ' O ' ' HB3' ' A' ' 7' ' ' LEU . 5.7 mmt -92.17 147.61 22.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.627 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -27.31 41.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.586 0.232 . . . . 0.0 111.46 -178.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 m -135.47 149.54 49.58 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.672 0.272 . . . . 0.0 110.564 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -66.51 -34.26 77.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.681 -175.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -27.64 68.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.922 0.391 . . . . 0.0 110.229 177.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.1 mt -74.46 -40.37 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.907 174.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.663 ' HG ' ' HB2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -62.79 -37.45 86.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.215 178.688 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -64.3 -55.53 20.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.232 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -63.64 -34.23 77.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.839 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -67.67 -51.89 44.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.03 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.418 ' HG3' HD22 ' A' ' 23' ' ' LEU . 24.9 mtm -62.04 -24.29 66.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.887 0.375 . . . . 0.0 111.526 -174.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -77.25 -21.56 53.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.728 179.587 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -95.48 -36.53 11.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.196 0.522 . . . . 0.0 110.824 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.69 -32.56 67.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.477 178.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.02 46.89 2.49 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.992 -178.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -119.69 28.78 7.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.018 0.437 . . . . 0.0 109.978 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.599 ' HE1' ' HB3' ' A' ' 12' ' ' PHE . 3.7 p90 . . . . . 0 C--O 1.253 1.247 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.593 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 112.421 -0.271 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -79.79 142.46 35.32 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 3' ' ' ARG . 3.2 mtm180 72.1 -72.17 0.12 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.782 0.677 . . . . 0.0 110.473 -175.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.473 HD13 ' HE2' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -105.22 129.99 23.84 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 173.66 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -53.56 -39.01 84.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.042 2.494 . . . . 0.0 112.473 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.473 ' HE2' HD13 ' A' ' 4' ' ' LEU . 2.9 mptp? 55.17 61.01 3.1 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.768 0.668 . . . . 0.0 110.737 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -105.67 -167.48 1.33 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.005 178.515 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.863 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -119.38 129.54 54.87 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.632 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.9 tp -93.03 145.09 24.64 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.673 -173.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.535 ' SG ' ' N ' ' A' ' 11' ' ' GLU . 19.1 t -76.49 -176.86 3.88 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 172.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.535 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -131.65 -7.89 3.63 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.797 -179.392 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.569 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 69.1 m-85 -113.26 -39.8 4.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.149 -175.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 p -115.75 -13.49 11.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.635 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mt 58.24 66.01 1.18 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.866 176.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.457 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -121.32 160.74 23.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.735 172.362 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.404 ' HB3' ' CB ' ' A' ' 7' ' ' LEU . 73.2 m-85 -101.19 125.83 47.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 -177.036 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.559 ' CG ' HD23 ' A' ' 23' ' ' LEU . 7.1 mmt -93.32 143.25 26.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.21 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 -25.44 27.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.627 0.251 . . . . 0.0 111.318 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -124.99 143.71 50.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 20' ' ' ARG . 5.7 ttp85 -66.04 -35.4 80.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.393 -175.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -34.6 75.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.089 0.471 . . . . 0.0 110.923 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.4 mt -66.27 -50.28 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.836 176.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.863 ' HG ' ' HB2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -58.43 -42.97 88.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.277 178.577 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -58.31 -50.29 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.806 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -70.03 -36.65 75.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.894 0.378 . . . . 0.0 111.215 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -59.54 -41.19 89.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.133 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.5 mtt -66.75 -20.19 65.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.302 -176.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 13.91 33.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.906 0.384 . . . . 0.0 110.157 175.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -122.4 -30.54 3.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.408 0.623 . . . . 0.0 110.465 -178.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -81.13 -7.71 59.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.96 -178.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.75 59.99 0.34 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.695 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -132.86 1.44 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 111.365 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.131 -0.937 . . . . 0.0 110.12 -179.106 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.93 -18.07 54.44 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -72.77 -84.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.709 0.29 . . . . 0.0 110.481 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tp -157.04 117.49 2.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.513 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -64.77 -22.08 64.15 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.976 2.451 . . . . 0.0 112.031 -178.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.3 77.54 7.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.564 173.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.77 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 3.6 mm? -70.45 -159.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.119 -176.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.443 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 7.5 m-85 -84.96 100.81 11.88 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.904 174.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 10' ' ' CYS . 28.5 tp -80.41 143.48 33.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.415 -171.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.422 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 12.7 t -85.4 162.63 18.94 Favored 'General case' 0 N--CA 1.432 -1.348 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -111.0 -10.99 14.36 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.907 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.474 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 54.5 m-85 -100.94 -45.73 5.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -176.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.1 p -112.22 -16.69 12.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.887 0.375 . . . . 0.0 110.407 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt 63.61 49.37 3.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.669 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -103.49 148.49 25.88 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 172.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.77 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 42.6 m-85 -89.7 111.35 22.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.021 0.439 . . . . 0.0 110.54 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.527 ' HG3' HD23 ' A' ' 23' ' ' LEU . 31.5 mmt -85.15 136.69 33.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.661 178.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -79.47 -8.66 59.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.262 -171.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 m -145.47 146.8 31.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.731 0.3 . . . . 0.0 110.772 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.7 ttp85 -64.77 -39.28 93.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.498 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -38.46 78.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.123 177.212 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.5 mt -71.62 -46.43 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.404 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.527 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.1 OUTLIER -59.95 -38.47 82.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.091 179.724 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -60.34 -43.65 96.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.052 0.453 . . . . 0.0 110.93 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -73.73 -39.61 64.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.193 0.521 . . . . 0.0 110.233 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -58.83 -57.88 11.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.533 -177.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -25.55 66.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.283 -174.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -28.02 62.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.07 -33.22 15.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.914 0.387 . . . . 0.0 110.875 178.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -69.5 -23.38 63.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.353 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.75 -19.99 69.87 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.991 176.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -86.31 -14.35 43.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.545 0.212 . . . . 0.0 110.547 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.621 -0.704 . . . . 0.0 111.768 177.151 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.497 ' HA ' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.761 ' HB3' HD22 ' A' ' 23' ' ' LEU . 90.4 m-85 -85.94 96.05 9.68 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-O 120.791 0.329 . . . . 0.0 110.861 -176.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 27.9 tp -78.01 130.61 36.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.592 -175.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -75.15 142.67 43.53 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 173.037 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -99.07 4.93 47.17 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.056 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.55 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 25.5 m-85 -107.79 -46.79 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.994 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.634 ' SG ' ' HG2' ' A' ' 15' ' ' LYS . 19.8 p -119.18 -8.83 10.08 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.828 0.347 . . . . 0.0 110.622 177.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.618 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 3.9 mt 62.94 72.29 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.978 176.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.634 ' HG2' ' SG ' ' A' ' 13' ' ' CYS . 7.2 mmtp -123.24 156.25 35.57 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 172.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -96.37 106.4 18.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.19 0.519 . . . . 0.0 111.417 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.473 ' O ' HD12 ' A' ' 7' ' ' LEU . 54.0 mmm -86.22 147.85 25.92 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.704 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -79.7 -37.77 34.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.441 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.413 ' OG ' HD12 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -120.07 150.04 41.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.743 0.306 . . . . 0.0 110.873 -178.458 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -38.17 89.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.339 176.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -48.14 82.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.977 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.413 HD12 ' OG ' ' A' ' 19' ' ' SER . 4.4 mt -65.7 -35.67 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.701 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.761 HD22 ' HB3' ' A' ' 8' ' ' TYR . 23.0 tp -63.25 -39.85 95.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.306 177.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -62.03 -43.46 98.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 177.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -63.65 -41.66 98.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.214 0.531 . . . . 0.0 110.382 176.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -63.74 -36.57 84.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.501 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.527 ' HG2' ' HE2' ' A' ' 12' ' ' PHE . 32.4 mtt -67.09 -19.29 65.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.246 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -43.23 33.55 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -45.04 91.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.906 177.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.556 -178.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.897 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 4.1 mm? . . . . . 0 N--CA 1.456 -0.144 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.453 ' HB3' HD22 ' A' ' 23' ' ' LEU . 38.6 m-85 -89.8 86.13 6.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.743 175.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.485 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 2.5 tp -83.6 136.17 34.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.821 -176.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -156.33 0.04 OUTLIER 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 121.831 0.824 . . . . 0.0 111.726 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -137.57 -0.16 2.19 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.77 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.67 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 4.9 m-85 -114.78 -64.51 1.31 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.005 -177.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -90.32 -17.63 27.01 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.631 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 mt 57.42 74.33 0.42 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.269 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.521 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -128.93 143.68 50.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.296 178.522 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.897 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 37.1 m-85 -80.31 109.28 14.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.962 -177.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.601 ' O ' ' HB3' ' A' ' 7' ' ' LEU . 32.3 mmt -90.62 149.55 22.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.159 178.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -79.01 -25.7 43.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.847 -174.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -136.25 152.78 51.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.194 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 20' ' ' ARG . 1.1 ttt-85 -63.42 -41.92 98.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.097 176.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -37.79 82.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.224 177.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.0 mt -64.74 -49.75 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.999 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.453 HD22 ' HB3' ' A' ' 8' ' ' TYR . 49.2 tp -60.17 -36.05 76.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.051 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -43.79 95.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.916 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -78.17 -43.45 28.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -59.09 -38.19 78.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.769 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.2 mtt -59.69 -19.71 51.5 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -35.54 68.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.923 0.392 . . . . 0.0 110.29 176.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.86 -30.58 21.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.133 177.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.67 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 6.9 t . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.038 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER . . . . . 0 CA--C 1.519 -0.241 0 CA-C-O 121.183 0.516 . . . . 0.0 111.087 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -112.81 85.69 2.22 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.904 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 14.3 tp -75.45 129.04 36.65 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.553 -172.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 1.4 t -75.78 111.71 11.41 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 171.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.83 18.51 1.57 Allowed 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.866 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.454 ' HE2' ' HG2' ' A' ' 27' ' ' MET . 15.0 m-85 -104.97 -46.69 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.754 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.24 -8.28 13.97 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.054 0.454 . . . . 0.0 110.207 173.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.495 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 8.4 mt 69.15 67.18 0.27 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.881 176.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -137.17 125.42 23.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.318 175.403 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 20.0 m-85 -72.68 116.82 13.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.039 -177.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.505 ' HG3' HD23 ' A' ' 23' ' ' LEU . 17.2 mmt -91.16 141.66 28.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 177.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HA ' HD12 ' A' ' 7' ' ' LEU . 1.2 mmtp -88.11 -0.18 56.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.761 -174.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.72 ' HB2' HD12 ' A' ' 22' ' ' ILE . 49.4 m -151.82 143.97 23.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.756 0.312 . . . . 0.0 111.186 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -65.45 -41.17 93.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.5 -26.96 65.72 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.057 0.456 . . . . 0.0 110.712 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.72 HD12 ' HB2' ' A' ' 19' ' ' SER . 5.2 mt -75.44 -38.87 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.88 175.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.505 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -66.34 -38.05 86.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.069 176.399 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -62.05 -42.82 99.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.468 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 22' ' ' ILE . 2.4 pt20 -75.56 -26.35 57.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.083 0.468 . . . . 0.0 110.215 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -72.91 -40.56 65.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.654 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.454 ' HG2' ' HE2' ' A' ' 12' ' ' PHE . 78.1 mtp -63.38 -20.31 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.464 -176.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -42.77 67.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.943 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -40.8 73.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.431 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.441 -0.882 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.376 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.459 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 1.1 mm? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.956 0.408 . . . . 0.0 110.054 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.484 ' HB3' HD12 ' A' ' 23' ' ' LEU . 19.3 m-85 -107.87 116.18 31.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.764 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.3 tp -95.87 135.22 37.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.169 -171.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 8.3 t -85.04 147.87 26.45 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 168.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -95.72 -7.39 37.47 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.115 -177.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -107.8 -28.29 9.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.483 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 83.3 m -101.35 -33.71 9.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.165 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.419 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.2 mt 62.66 34.79 14.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.712 -173.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.43 143.82 36.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.383 177.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.413 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 31.5 m-85 -88.62 117.7 27.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.182 0.515 . . . . 0.0 111.019 -177.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.423 ' HG3' HD23 ' A' ' 23' ' ' LEU . 12.0 mmt -82.64 137.59 34.45 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.725 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -79.64 -14.5 58.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.993 -173.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -134.67 152.15 51.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.872 0.368 . . . . 0.0 111.129 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 20' ' ' ARG . 2.3 ttt180 -65.91 -45.8 80.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.31 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -39.29 79.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.357 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.74 -55.19 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.826 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -63.69 -34.47 77.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.217 -179.031 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -60.09 -49.1 78.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.2 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -80.12 -24.8 40.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 110.528 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 27.4 t60 -64.33 -54.33 34.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.672 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.5 mtp -69.57 -12.72 61.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 111.211 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -36.61 40.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.084 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -40.34 20.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.415 177.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.768 178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.8 mt . . . . . 0 N--CA 1.449 -0.498 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.839 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 79.9 m-85 -84.76 102.8 13.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.502 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 46.3 tp -84.16 122.73 29.25 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.059 -176.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 6.8 t -80.69 112.79 18.39 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 173.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.09 9.28 1.65 Allowed 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.571 -178.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.556 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 22.1 m-85 -99.6 -42.37 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.35 -0.14 . . . . 0.0 111.118 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.8 p -122.04 -6.52 8.94 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.881 0.372 . . . . 0.0 111.142 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 mt 62.99 46.74 4.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.693 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.05 152.13 28.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.317 172.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.502 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 44.6 m-85 -99.84 127.45 46.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.151 0.5 . . . . 0.0 111.639 -176.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.938 ' HG3' HD23 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -100.89 139.62 36.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.83 177.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -31.21 45.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.578 -175.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.53 151.89 42.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.003 0.43 . . . . 0.0 111.401 -178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 20' ' ' ARG . 3.6 ttm180 -61.55 -42.41 98.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.8 t -61.55 -27.4 68.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.021 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.17 -52.12 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.938 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.3 OUTLIER -56.4 -44.73 80.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.143 178.327 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -60.6 -48.68 80.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.523 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -75.5 -36.66 60.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.832 0.349 . . . . 0.0 111.229 -177.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -63.44 -40.19 96.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.774 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.6 mtt -62.74 -15.76 54.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.734 -176.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -83.17 -26.61 30.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.743 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -90.93 -27.83 18.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 0.0 110.656 179.404 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.471 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.448 -0.561 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.422 ' HA ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.859 0.361 . . . . 0.0 110.128 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 97.8 m-85 -83.57 83.32 7.94 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-O 120.966 0.412 . . . . 0.0 110.539 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.437 HD13 ' CE1' ' A' ' 16' ' ' TYR . 23.9 tp -73.1 126.38 29.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.116 -176.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.509 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -63.08 -37.82 88.74 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.208 178.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' HG2' HD23 ' A' ' 9' ' ' LEU . 10.3 mt-10 75.31 -7.64 1.73 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.874 0.87 . . . . 0.0 112.886 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.522 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 42.7 m-85 -104.59 -48.51 3.78 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.509 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 5.5 m -89.09 -16.11 32.31 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 167.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 11' ' ' GLU . 8.4 mt 61.48 45.43 8.38 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.787 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -110.31 146.06 36.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.167 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.437 ' CE1' HD13 ' A' ' 9' ' ' LEU . 45.4 m-85 -87.2 112.01 21.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -178.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.689 ' HG3' HD23 ' A' ' 23' ' ' LEU . 19.3 mmt -88.12 145.37 25.97 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -30.11 23.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.769 -173.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m -123.23 155.6 36.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.8 0.333 . . . . 0.0 111.536 -176.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.517 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -62.64 -46.71 86.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.133 177.075 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.21 -44.82 92.25 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.771 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.55 HG22 ' HB3' ' A' ' 17' ' ' MET . 13.9 mt -62.37 -40.31 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.13 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.689 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -66.68 -47.8 71.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.068 0.461 . . . . 0.0 110.358 178.682 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -64.05 -42.41 97.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.268 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.435 HE21 ' HB3' ' A' ' 25' ' ' GLN . 1.2 pt20 -71.74 -25.09 61.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.656 178.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -67.23 -43.62 81.53 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.0 mtt -61.87 -15.83 45.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.562 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.26 -30.6 48.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.169 176.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.62 -33.61 16.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.214 0.531 . . . . 0.0 109.651 176.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 5.1 t . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.166 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.48 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 3.1 mm? . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.752 0.31 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.603 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 9.4 m-85 -99.52 139.41 35.22 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.671 ' HG ' ' HE1' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -105.6 120.23 41.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.746 0.308 . . . . 0.0 111.538 -175.23 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -63.75 -39.24 93.79 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.005 177.767 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 56.4 mt-10 73.75 -4.95 2.12 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.558 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.661 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 32.0 m-85 -98.42 -48.39 5.05 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 173.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.502 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 4.5 m -90.5 -18.62 24.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.45 167.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.588 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . 4.3 mt 64.72 42.11 4.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 114.394 -1.275 . . . . 0.0 109.859 -174.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' HE2' ' HB3' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -106.27 151.23 25.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.564 -179.553 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.671 ' HE1' ' HG ' ' A' ' 9' ' ' LEU . 2.7 m-30 -96.03 107.98 20.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.587 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.626 ' HE3' ' HB2' ' A' ' 23' ' ' LEU . 2.1 mpp? -77.06 147.27 36.8 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.496 174.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -22.4 49.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.864 0.364 . . . . 0.0 110.957 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -143.39 157.6 44.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.368 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -30.88 65.6 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -33.83 76.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.64 174.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mt -68.84 -40.5 81.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.203 176.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.626 ' HB2' ' HE3' ' A' ' 17' ' ' MET . 41.5 tp -60.95 -34.08 74.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 178.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -57.82 -40.14 79.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 26.3 mm-40 -79.28 -37.3 38.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.318 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 46.4 t60 -57.93 -44.04 86.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.598 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . 1.2 mtt -71.12 -6.59 40.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.729 -175.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.44 -45.17 56.0 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 171.248 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.43 -33.15 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.679 174.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.661 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.792 174.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.45 ' HA ' HD13 ' A' ' 7' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.818 0.342 . . . . 0.0 110.432 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.469 ' CD2' ' HG3' ' A' ' 20' ' ' ARG . 1.9 m-85 -84.53 94.16 8.51 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 173.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.451 HD11 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -93.83 135.29 35.29 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.007 -167.788 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.5 t -74.48 122.73 23.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 170.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.54 -3.95 37.09 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -104.88 -33.18 8.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 110.686 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 84.6 m -96.66 -27.85 14.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.381 177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.451 ' HA ' HD11 ' A' ' 9' ' ' LEU . 5.3 mt 60.24 47.94 8.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.182 -172.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.38 137.78 54.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.043 179.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.419 ' CG ' ' HB2' ' A' ' 7' ' ' LEU . 6.5 m-30 -81.82 104.15 11.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.412 -177.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.506 ' SD ' HG22 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -84.01 144.86 28.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 174.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -27.78 25.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -171.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -126.36 140.05 52.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.469 ' HG3' ' CD2' ' A' ' 8' ' ' TYR . 4.1 ttt180 -70.09 -25.91 63.74 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.38 -176.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.45 -42.3 92.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.317 0.58 . . . . 0.0 109.952 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.506 HG22 ' SD ' ' A' ' 17' ' ' MET . 24.2 mt -62.83 -44.53 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.248 176.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.496 HD23 ' SD ' ' A' ' 17' ' ' MET . 0.1 OUTLIER -66.96 -39.01 87.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.017 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -49.37 75.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.837 0.351 . . . . 0.0 110.388 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -60.7 -38.08 83.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.472 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -68.25 -52.7 30.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.389 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.8 mtt -64.21 -23.66 67.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.808 0.337 . . . . 0.0 111.334 -174.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -81.16 -10.36 59.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.431 179.148 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.64 -39.59 6.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.016 176.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.105 177.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.522 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.282 0 CA-C-O 121.184 0.516 . . . . 0.0 110.981 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.522 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 17.4 m-85 -109.99 109.98 20.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.689 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.482 HD13 ' CE1' ' A' ' 16' ' ' TYR . 10.7 tp -88.57 137.97 31.85 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.241 -169.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 t -83.08 132.81 35.1 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 167.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.24 -2.0 26.01 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.567 -177.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -121.04 -37.82 2.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.788 0.328 . . . . 0.0 111.329 -177.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.458 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 78.0 m -91.51 -33.96 14.97 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.095 0.474 . . . . 0.0 109.758 176.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mt 60.02 37.53 21.17 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.241 -1.345 . . . . 0.0 110.098 -174.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 9.9 mmtp -100.82 153.29 19.6 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.537 -1.21 . . . . 0.0 109.24 174.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.482 ' CE1' HD13 ' A' ' 9' ' ' LEU . 47.9 m-85 -89.95 108.35 19.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.039 0.447 . . . . 0.0 111.541 -175.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.86 ' HG3' HD23 ' A' ' 23' ' ' LEU . 20.4 mmt -79.77 139.35 37.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.619 176.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -34.02 44.09 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -171.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -121.54 145.98 47.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.739 0.304 . . . . 0.0 110.962 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 -60.46 -45.11 94.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.077 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -23.65 66.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.795 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 mt -74.88 -39.64 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.131 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.86 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.2 OUTLIER -66.55 -48.33 70.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.186 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.87 -25.53 67.23 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.726 -179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -74.28 -42.14 60.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.168 0.509 . . . . 0.0 109.829 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -68.95 -52.07 33.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.503 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -15.96 63.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.915 -171.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -84.71 -16.14 42.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.17 0.51 . . . . 0.0 109.759 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.18 -41.73 10.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.412 176.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.445 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.169 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.481 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 0.9 OUTLIER . . . . . 0 C--O 1.234 0.284 0 CA-C-O 120.999 0.428 . . . . 0.0 110.348 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.623 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 5.5 m-85 -103.36 100.03 9.9 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.621 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.8 tp -78.55 119.35 21.71 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -63.78 -32.19 73.62 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.325 178.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 33.3 mt-10 70.42 1.34 3.58 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.692 173.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.488 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 61.6 m-85 -112.53 -52.75 2.76 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 2.7 m -90.42 -17.64 26.84 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 168.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mt 66.37 37.06 4.93 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.548 -1.206 . . . . 0.0 111.313 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.69 156.94 16.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.397 172.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.452 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 51.5 m-85 -106.72 123.58 48.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.942 0.401 . . . . 0.0 110.952 -177.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.784 ' HG3' ' HA ' ' A' ' 23' ' ' LEU . 5.6 mmt -89.75 148.82 23.02 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -79.17 -39.69 32.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.748 0.309 . . . . 0.0 110.612 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -128.39 160.54 31.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.093 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -36.35 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.412 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -45.15 80.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.127 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.553 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 7.4 mt -67.79 -40.86 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.636 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.784 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -62.83 -43.59 98.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.484 -178.321 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -67.01 -35.87 80.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.173 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.553 ' NE2' ' HA ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -77.29 -32.54 55.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.761 179.141 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.698 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 25.1 t60 -66.23 -44.87 82.55 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.51 ' HA ' ' CB ' ' A' ' 30' ' ' CYS . 24.7 mtt -63.61 -14.7 54.15 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -174.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -55.13 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.245 173.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.698 ' HD3' ' HA ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -79.16 -11.12 59.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 177.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.51 ' CB ' ' HA ' ' A' ' 27' ' ' MET . 36.9 t . . . . . 0 C--N 1.323 -0.549 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.731 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 30.6 mt . . . . . 0 CA--C 1.531 0.216 0 CA-C-O 120.842 0.353 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.469 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 21.4 m-85 -97.42 128.48 44.25 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 tp -100.17 136.03 40.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 t -86.74 138.05 31.94 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 167.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -84.56 -6.56 59.38 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.848 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.508 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 6.3 m-85 -109.36 -29.17 8.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -176.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 88.7 m -99.68 -35.65 9.75 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.18 0.514 . . . . 0.0 109.908 175.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt 63.93 36.06 10.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.105 -1.407 . . . . 0.0 109.477 -171.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 150.28 32.04 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.409 176.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.731 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 36.5 m-85 -92.77 131.41 37.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.012 0.434 . . . . 0.0 111.631 -175.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.593 ' HG3' HD13 ' A' ' 23' ' ' LEU . 2.6 mmt -98.98 154.36 18.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.007 178.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.65 -33.72 46.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -131.78 158.19 41.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.849 0.357 . . . . 0.0 110.995 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -66.85 -38.74 86.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.541 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.504 ' HA ' ' HB2' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -70.59 -26.17 63.39 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.112 -179.425 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.7 mt -66.71 -43.4 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 173.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.593 HD13 ' HG3' ' A' ' 17' ' ' MET . 59.1 tp -71.93 -32.54 67.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.72 177.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 21' ' ' THR . 7.8 mt-30 -56.53 -50.6 71.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.98 0.419 . . . . 0.0 110.348 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -71.35 -34.45 70.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.554 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 33.7 t60 -63.47 -52.56 60.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.457 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -27.8 69.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.096 -175.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -10.09 59.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.94 178.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -38.89 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.141 0.496 . . . . 0.0 110.453 176.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.427 ' HA ' HD13 ' A' ' 7' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.449 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -123.94 106.65 10.59 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 -179.557 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.678 HD22 ' HE1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -96.08 157.86 15.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.234 0.54 . . . . 0.0 111.391 -173.681 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 5.6 t -81.92 143.14 31.87 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.489 174.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -75.36 -11.15 59.99 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.837 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.409 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 4.5 m-85 -112.82 -27.58 8.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.395 -178.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 73.9 m -102.58 -34.84 8.95 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.155 0.503 . . . . 0.0 110.185 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.569 ' HA ' HD12 ' A' ' 9' ' ' LEU . 1.0 OUTLIER 62.51 29.02 17.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.782 -178.129 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 122.77 43.75 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.951 177.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.678 ' HE1' HD22 ' A' ' 9' ' ' LEU . 14.2 m-30 -62.95 117.89 7.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.626 -177.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.64 ' HG3' HD23 ' A' ' 23' ' ' LEU . 23.5 mmt -93.31 146.78 23.46 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 174.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -79.81 -23.66 41.91 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 111.784 0.291 . . . . 0.0 111.784 -172.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.47 142.7 50.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.696 0.284 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.31 -37.95 87.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.393 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.53 -43.18 84.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.248 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 10.7 mt -67.18 -47.13 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.682 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.64 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.1 OUTLIER -62.7 -40.38 96.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.196 -178.284 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -62.81 -50.56 70.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.045 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -66.08 -22.34 66.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 0.0 111.02 179.058 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -75.62 -54.23 7.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.011 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 40.3 mtp -64.26 -19.54 65.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.553 -174.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -26.34 64.52 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.745 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.496 ' HG3' ' N ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -98.03 -28.4 13.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.153 0.501 . . . . 0.0 110.687 177.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.496 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.726 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.511 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.64 ' HB3' HD22 ' A' ' 23' ' ' LEU . 49.9 m-85 -122.17 92.95 3.84 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.433 177.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.0 tp -73.03 123.69 24.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.39 -173.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HB3' ' H ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -61.27 -45.67 93.54 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.482 178.649 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 80.15 -20.76 0.36 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.886 1.274 . . . . 0.0 111.967 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.429 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 19.8 m-85 -80.26 -51.23 9.17 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.5 p -112.66 -1.06 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.415 172.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mt 62.95 55.43 2.0 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.051 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.427 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -103.98 143.87 32.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.284 175.136 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -98.53 112.08 24.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.941 0.4 . . . . 0.0 110.626 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.7 mmm -91.47 150.09 21.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.605 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.06 -31.01 44.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.291 -175.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.7 154.05 47.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.324 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ttm105 -66.55 -25.23 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.8 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -46.94 88.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.611 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.5 -42.67 87.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.253 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 8' ' ' TYR . 14.4 tp -58.78 -37.01 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.919 177.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -26.07 68.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.317 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -88.78 -39.6 13.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -58.36 -41.59 85.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 29.8 mtt -64.61 -16.53 62.86 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.761 -176.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.43 -47.5 27.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.585 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.45 ' H ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -77.58 -37.39 50.61 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.891 -178.495 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.158 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mm? . . . . . 0 C--O 1.233 0.229 0 CA-C-O 121.195 0.521 . . . . 0.0 110.546 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.576 ' HB3' HD22 ' A' ' 23' ' ' LEU . 4.2 m-85 -84.57 94.45 8.59 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.313 177.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.7 tp -80.82 121.65 26.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.026 -173.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -60.97 -39.84 91.11 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.987 177.588 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 70.61 -1.36 2.6 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.587 174.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.559 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 18.9 m-85 -104.46 -51.39 3.11 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 176.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.473 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 2.7 m -89.44 -16.6 30.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 165.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mt 66.08 43.19 2.98 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.581 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.438 ' HG2' ' HB2' ' A' ' 13' ' ' CYS . 16.9 mmtp -97.66 145.54 26.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.739 175.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -99.06 111.86 24.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.78 0.324 . . . . 0.0 110.656 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.502 ' HG3' ' HA ' ' A' ' 23' ' ' LEU . 33.8 mmt -86.91 142.38 28.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.881 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.95 -22.74 31.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.394 -174.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -135.98 146.71 47.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.647 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -61.49 -41.9 97.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -42.41 85.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.494 178.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.6 mt -65.17 -41.96 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.889 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 8' ' ' TYR . 6.2 tp -61.56 -39.94 92.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.053 0.454 . . . . 0.0 110.683 177.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -66.01 -24.83 66.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.796 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -86.11 -30.35 22.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.468 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -68.03 -46.74 70.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.119 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.476 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 30.9 mtt -70.98 -179.41 2.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.539 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 27' ' ' MET . 0.0 OUTLIER 73.4 -23.94 0.21 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.375 0.67 . . . . 0.0 111.009 -177.354 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -127.77 -5.08 5.77 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 173.127 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 2.6 t . . . . . 0 N--CA 1.443 -0.778 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.408 173.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.448 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 1.5 mm? . . . . . 0 C--O 1.235 0.334 0 CA-C-O 121.286 0.565 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 23' ' ' LEU . 17.3 m-85 -121.44 96.72 5.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.912 -175.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.486 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 18.9 tp -80.66 136.44 36.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.822 -172.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.667 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 4.0 t -84.15 132.03 34.72 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 169.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -96.51 17.14 16.86 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.421 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -113.2 -46.85 3.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.744 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.9 p -112.26 -2.85 14.74 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.267 174.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.667 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 7.3 mt 56.17 65.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.885 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -129.66 145.05 51.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.332 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 58.0 m-85 -91.21 130.62 37.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.979 0.419 . . . . 0.0 111.133 -177.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.0 mmt -101.33 148.67 24.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.042 177.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -79.13 -29.35 43.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.577 -175.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.55 150.76 49.81 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 ttp85 -65.67 -35.68 81.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.983 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -25.3 68.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.764 178.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.8 mt -74.06 -44.28 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.074 175.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 8' ' ' TYR . 37.7 tp -66.09 -32.57 74.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.622 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -65.77 -36.31 83.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -73.27 -19.25 61.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.251 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -90.59 -49.44 6.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.377 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.1 mtt -77.94 99.69 6.13 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 122.171 0.986 . . . . 0.0 110.473 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.63 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 171.15 -11.65 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 112.56 -2.109 . . . . 0.0 109.064 178.716 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.63 ' N ' ' HD3' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -125.7 -44.05 1.83 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.683 -177.758 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.903 -177.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 18' ' ' LYS . 1.7 mm? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.008 0.432 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.702 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 5.3 m-85 -103.74 127.3 51.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.122 -177.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.524 HD13 ' HE1' ' A' ' 16' ' ' TYR . 44.7 tp -99.7 118.57 36.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.986 0.422 . . . . 0.0 111.326 -176.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -64.58 -31.65 72.96 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.369 178.019 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 72.62 -14.88 0.53 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.212 -0.904 . . . . 0.0 113.349 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.696 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 55.5 m-85 -97.59 -54.23 3.19 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.497 ' HB2' ' HG2' ' A' ' 15' ' ' LYS . 2.1 m -87.76 -17.07 32.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 168.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mt 62.81 47.7 4.45 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 114.24 -1.345 . . . . 0.0 110.611 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.497 ' HG2' ' HB2' ' A' ' 13' ' ' CYS . 27.9 mmtm -104.49 146.62 28.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.9 177.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.524 ' HE1' HD13 ' A' ' 9' ' ' LEU . 2.9 m-30 -91.06 122.63 33.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.146 0.498 . . . . 0.0 111.159 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.618 ' HG3' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -97.62 143.72 28.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.788 177.685 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.503 ' HA ' HD12 ' A' ' 7' ' ' LEU . 3.1 mptt -79.47 -18.43 52.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.397 -176.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.0 p -149.35 168.92 22.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.776 0.322 . . . . 0.0 110.625 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -80.36 -16.82 53.65 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.398 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.27 -31.63 65.93 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 174.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.8 mt -79.81 -41.85 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.101 175.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.702 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -58.59 -42.17 87.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.693 178.183 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -69.03 -38.69 79.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.891 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -73.58 -33.78 64.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -69.62 -50.27 45.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.654 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.579 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . 28.9 mtp -68.36 178.45 1.96 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.813 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 27' ' ' MET . 0.3 OUTLIER 76.08 -52.71 0.62 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.783 -174.297 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -36.26 49.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.493 172.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.696 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 9.9 t . . . . . 0 C--O 1.235 0.336 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.634 176.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.499 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 2.8 mm? . . . . . 0 C--O 1.235 0.312 0 CA-C-O 120.885 0.374 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.499 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 69.3 m-85 -123.0 100.29 6.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.005 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.87 ' HG ' ' CE1' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -73.19 128.17 34.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.305 -175.241 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -68.59 -49.45 59.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.198 176.774 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 4.6 mt-10 77.59 -10.36 1.36 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.328 177.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.445 ' HE2' ' HG2' ' A' ' 27' ' ' MET . 64.3 m-85 -88.86 -43.13 11.44 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.7 p -122.25 -0.78 9.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.921 172.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . 4.1 mt 62.35 53.53 2.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.516 177.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -118.94 121.6 40.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.078 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.87 ' CE1' ' HG ' ' A' ' 9' ' ' LEU . 16.8 m-85 -70.95 127.18 31.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.846 -176.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.729 ' HG3' ' HA ' ' A' ' 23' ' ' LEU . 36.3 mmt -98.1 150.16 21.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.49 174.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -26.39 35.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.621 -173.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.79 157.64 42.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.641 0.258 . . . . 0.0 111.081 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -43.07 93.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.58 178.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -62.49 -41.77 99.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.817 179.012 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.418 ' HA ' ' CD ' ' A' ' 25' ' ' GLN . 59.4 mt -64.92 -37.69 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.852 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.729 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -62.67 -38.74 91.51 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.83 -40.16 95.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.692 176.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 35.4 mt-30 -63.79 -43.95 94.8 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.243 0.544 . . . . 0.0 110.14 175.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.876 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 32.2 t60 -61.98 -41.59 98.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.834 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.445 ' HG2' ' HE2' ' A' ' 12' ' ' PHE . 26.9 mtt -65.43 -8.45 19.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.708 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.8 OUTLIER -78.7 -49.29 13.38 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.858 176.024 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.876 ' HD2' ' HA ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -70.92 -37.82 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.45 0.643 . . . . 0.0 110.074 176.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.322 -0.63 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.441 176.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.928 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 12.1 mt . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.674 0.273 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.663 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -93.71 129.93 39.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.584 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.3 tp -92.14 135.48 33.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.704 -174.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.551 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 2.6 t -83.67 131.14 34.96 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -85.41 6.13 27.94 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.082 -178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.412 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 68.3 m-85 -111.98 -40.22 4.3 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.739 -175.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.6 p -124.75 -1.07 7.95 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.771 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 1.4 mt 55.56 60.39 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.944 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -127.05 157.44 39.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.941 173.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.928 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 64.2 m-85 -100.38 128.53 46.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.679 0.276 . . . . 0.0 111.584 -175.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.63 ' O ' ' HB3' ' A' ' 7' ' ' LEU . 5.7 mmt -92.17 147.61 22.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.627 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -27.31 41.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.586 0.232 . . . . 0.0 111.46 -178.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 m -135.47 149.54 49.58 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.672 0.272 . . . . 0.0 110.564 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -66.51 -34.26 77.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.681 -175.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -27.64 68.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.922 0.391 . . . . 0.0 110.229 177.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.1 mt -74.46 -40.37 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.907 174.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.663 ' HG ' ' HB2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -62.79 -37.45 86.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.215 178.688 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -64.3 -55.53 20.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.232 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -63.64 -34.23 77.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.839 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -67.67 -51.89 44.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.03 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.418 ' HG3' HD22 ' A' ' 23' ' ' LEU . 24.9 mtm -62.04 -24.29 66.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.887 0.375 . . . . 0.0 111.526 -174.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' N ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -77.25 -21.56 53.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.728 179.587 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -95.48 -36.53 11.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.196 0.522 . . . . 0.0 110.824 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.477 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.863 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -119.38 129.54 54.87 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.632 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.9 tp -93.03 145.09 24.64 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.673 -173.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.535 ' SG ' ' N ' ' A' ' 11' ' ' GLU . 19.1 t -76.49 -176.86 3.88 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 172.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.535 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -131.65 -7.89 3.63 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.797 -179.392 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.569 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 69.1 m-85 -113.26 -39.8 4.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.149 -175.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 p -115.75 -13.49 11.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.635 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mt 58.24 66.01 1.18 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.866 176.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.457 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -121.32 160.74 23.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.735 172.362 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.404 ' HB3' ' CB ' ' A' ' 7' ' ' LEU . 73.2 m-85 -101.19 125.83 47.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 -177.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.559 ' CG ' HD23 ' A' ' 23' ' ' LEU . 7.1 mmt -93.32 143.25 26.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.21 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 -25.44 27.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.627 0.251 . . . . 0.0 111.318 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -124.99 143.71 50.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 20' ' ' ARG . 5.7 ttp85 -66.04 -35.4 80.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.393 -175.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -34.6 75.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.089 0.471 . . . . 0.0 110.923 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.4 mt -66.27 -50.28 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.836 176.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.863 ' HG ' ' HB2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -58.43 -42.97 88.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.277 178.577 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -58.31 -50.29 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.806 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -70.03 -36.65 75.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.894 0.378 . . . . 0.0 111.215 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -59.54 -41.19 89.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.133 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.5 mtt -66.75 -20.19 65.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.302 -176.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 13.91 33.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.906 0.384 . . . . 0.0 110.157 175.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -122.4 -30.54 3.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.408 0.623 . . . . 0.0 110.465 -178.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.96 -178.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.77 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 3.6 mm? . . . . . 0 C--O 1.234 0.264 0 CA-C-O 121.381 0.61 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.443 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 7.5 m-85 -84.96 100.81 11.88 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.904 174.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 10' ' ' CYS . 28.5 tp -80.41 143.48 33.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.415 -171.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.422 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 12.7 t -85.4 162.63 18.94 Favored 'General case' 0 N--CA 1.432 -1.348 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -111.0 -10.99 14.36 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.907 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.474 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 54.5 m-85 -100.94 -45.73 5.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -176.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.1 p -112.22 -16.69 12.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.887 0.375 . . . . 0.0 110.407 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt 63.61 49.37 3.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.669 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -103.49 148.49 25.88 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 172.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.77 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 42.6 m-85 -89.7 111.35 22.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.021 0.439 . . . . 0.0 110.54 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.527 ' HG3' HD23 ' A' ' 23' ' ' LEU . 31.5 mmt -85.15 136.69 33.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.661 178.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -79.47 -8.66 59.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.262 -171.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 m -145.47 146.8 31.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.731 0.3 . . . . 0.0 110.772 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.7 ttp85 -64.77 -39.28 93.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.498 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -38.46 78.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.123 177.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.5 mt -71.62 -46.43 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.404 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.527 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.1 OUTLIER -59.95 -38.47 82.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.091 179.724 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -60.34 -43.65 96.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.052 0.453 . . . . 0.0 110.93 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -73.73 -39.61 64.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.193 0.521 . . . . 0.0 110.233 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -58.83 -57.88 11.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.533 -177.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -25.55 66.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.283 -174.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -28.02 62.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.07 -33.22 15.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.914 0.387 . . . . 0.0 110.875 178.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.412 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.758 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.02 -13.02 29.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.772 0.32 . . . . 0.0 110.402 177.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 59.53 35.82 22.78 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.71 -179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.88 113.22 65.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.03 179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -71.44 122.33 8.54 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.405 2.07 . . . . 0.0 112.106 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.61 112.55 13.28 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.836 179.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.497 ' HA ' HD13 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -94.51 -176.15 3.84 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.151 -178.072 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.761 ' HB3' HD22 ' A' ' 23' ' ' LEU . 90.4 m-85 -85.94 96.05 9.68 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-O 120.791 0.329 . . . . 0.0 110.861 -176.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 27.9 tp -78.01 130.61 36.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.592 -175.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.618 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -75.15 142.67 43.53 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 173.037 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -99.07 4.93 47.17 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-N 115.118 -0.946 . . . . 0.0 111.056 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.55 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 25.5 m-85 -107.79 -46.79 3.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.994 -178.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.634 ' SG ' ' HG2' ' A' ' 15' ' ' LYS . 19.8 p -119.18 -8.83 10.08 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.828 0.347 . . . . 0.0 110.622 177.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.618 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 3.9 mt 62.94 72.29 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.978 176.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.634 ' HG2' ' SG ' ' A' ' 13' ' ' CYS . 7.2 mmtp -123.24 156.25 35.57 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 172.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -96.37 106.4 18.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.19 0.519 . . . . 0.0 111.417 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.473 ' O ' HD12 ' A' ' 7' ' ' LEU . 54.0 mmm -86.22 147.85 25.92 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.507 -0.769 . . . . 0.0 109.704 178.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -79.7 -37.77 34.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.441 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.413 ' OG ' HD12 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -120.07 150.04 41.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.743 0.306 . . . . 0.0 110.873 -178.458 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.27 -38.17 89.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.339 176.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.15 -48.14 82.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.977 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.413 HD12 ' OG ' ' A' ' 19' ' ' SER . 4.4 mt -65.7 -35.67 75.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.701 178.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.761 HD22 ' HB3' ' A' ' 8' ' ' TYR . 23.0 tp -63.25 -39.85 95.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.306 177.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -62.03 -43.46 98.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.517 177.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -63.65 -41.66 98.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.214 0.531 . . . . 0.0 110.382 176.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -63.74 -36.57 84.29 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.501 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.527 ' HG2' ' HE2' ' A' ' 12' ' ' PHE . 32.4 mtt -67.09 -19.29 65.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.246 -177.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.37 -43.23 33.55 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 174.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -45.04 91.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.906 177.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.0 OUTLIER -82.47 -2.12 52.36 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.556 -178.624 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.68 11.84 38.73 Favored Glycine 0 N--CA 1.444 -0.821 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.938 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.483 ' CE3' ' HA ' ' A' ' 32' ' ' TRP . 3.4 m95 -85.13 61.01 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.118 0.485 . . . . 0.0 110.307 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 33.0 p90 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.339 -179.746 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.708 0 N-CA-C 111.752 -0.539 . . . . 0.0 111.752 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.43 -59.69 2.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.799 0.333 . . . . 0.0 110.324 178.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.56 -80.15 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.265 176.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.616 ' HG ' ' HD2' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -115.87 155.88 47.22 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 173.57 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.616 ' HD2' ' HG ' ' A' ' 4' ' ' LEU . 12.5 Cg_endo -56.02 131.36 45.48 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.152 1.901 . . . . 0.0 111.283 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -78.23 84.97 4.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.03 -175.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.897 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 4.1 mm? -82.31 -145.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.737 178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.453 ' HB3' HD22 ' A' ' 23' ' ' LEU . 38.6 m-85 -89.8 86.13 6.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.743 175.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.485 ' HA ' ' O ' ' A' ' 15' ' ' LYS . 2.5 tp -83.6 136.17 34.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.821 -176.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -73.65 -156.33 0.04 OUTLIER 'General case' 0 N--CA 1.437 -1.08 0 CA-C-O 121.831 0.824 . . . . 0.0 111.726 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -137.57 -0.16 2.19 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.77 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.67 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 4.9 m-85 -114.78 -64.51 1.31 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.005 -177.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -90.32 -17.63 27.01 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.631 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.7 mt 57.42 74.33 0.42 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 114.499 -1.228 . . . . 0.0 111.269 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.521 ' HB2' ' SG ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -128.93 143.68 50.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.296 178.522 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.897 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 37.1 m-85 -80.31 109.28 14.65 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.962 -177.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.601 ' O ' ' HB3' ' A' ' 7' ' ' LEU . 32.3 mmt -90.62 149.55 22.06 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.159 178.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -79.01 -25.7 43.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.847 -174.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -136.25 152.78 51.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.646 -0.252 . . . . 0.0 111.194 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 20' ' ' ARG . 1.1 ttt-85 -63.42 -41.92 98.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.097 176.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -37.79 82.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.224 177.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 76.0 mt -64.74 -49.75 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.999 176.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.453 HD22 ' HB3' ' A' ' 8' ' ' TYR . 49.2 tp -60.17 -36.05 76.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.051 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -43.79 95.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.916 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -78.17 -43.45 28.62 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.725 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -59.09 -38.19 78.94 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.769 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 12.2 mtt -59.69 -19.71 51.5 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 -177.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.23 -35.54 68.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.923 0.392 . . . . 0.0 110.29 176.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' HA ' ' HB2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -86.86 -30.58 21.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.133 177.133 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.67 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 6.9 t -60.22 -47.69 84.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.038 177.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.38 -6.09 89.02 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.492 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.452 ' HB2' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -83.55 -39.21 20.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.822 0.344 . . . . 0.0 111.016 179.05 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.527 -0.749 . . . . 0.0 110.089 -179.868 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.745 0 N-CA-C 111.553 -0.619 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.34 -37.21 77.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.819 0.342 . . . . 0.0 110.559 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -130.89 -176.97 4.17 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.85 122.57 87.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 177.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -76.35 136.91 18.24 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 122.342 2.028 . . . . 0.0 112.465 -177.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.62 92.0 4.91 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.466 177.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 18' ' ' LYS . 0.7 OUTLIER -90.04 -166.0 1.48 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.183 0.516 . . . . 0.0 111.087 -175.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -112.81 85.69 2.22 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.904 179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 14.3 tp -75.45 129.04 36.65 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.553 -172.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.495 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 1.4 t -75.78 111.71 11.41 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 171.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -82.83 18.51 1.57 Allowed 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.866 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.454 ' HE2' ' HG2' ' A' ' 27' ' ' MET . 15.0 m-85 -104.97 -46.69 4.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.754 179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.5 p -112.24 -8.28 13.97 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.054 0.454 . . . . 0.0 110.207 173.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.495 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 8.4 mt 69.15 67.18 0.27 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.881 176.528 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' C ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -137.17 125.42 23.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.318 175.403 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 20.0 m-85 -72.68 116.82 13.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.039 -177.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.505 ' HG3' HD23 ' A' ' 23' ' ' LEU . 17.2 mmt -91.16 141.66 28.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 177.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.522 ' HA ' HD12 ' A' ' 7' ' ' LEU . 1.2 mmtp -88.11 -0.18 56.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.761 -174.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.72 ' HB2' HD12 ' A' ' 22' ' ' ILE . 49.4 m -151.82 143.97 23.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.756 0.312 . . . . 0.0 111.186 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -65.45 -41.17 93.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.5 -26.96 65.72 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.057 0.456 . . . . 0.0 110.712 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.72 HD12 ' HB2' ' A' ' 19' ' ' SER . 5.2 mt -75.44 -38.87 40.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.88 175.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.505 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -66.34 -38.05 86.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.069 176.399 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -62.05 -42.82 99.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.468 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 22' ' ' ILE . 2.4 pt20 -75.56 -26.35 57.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.083 0.468 . . . . 0.0 110.215 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 27.3 t60 -72.91 -40.56 65.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.654 177.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.454 ' HG2' ' HE2' ' A' ' 12' ' ' PHE . 78.1 mtp -63.38 -20.31 65.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.464 -176.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -42.77 67.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.943 176.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -40.8 73.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.431 177.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.71 28.08 1.61 Allowed 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.376 -177.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -176.51 54.9 0.11 Allowed Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.113 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 16.0 m95 -70.04 -32.8 71.12 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.905 0.383 . . . . 0.0 110.421 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 6.4 t80 . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.486 -0.769 . . . . 0.0 110.377 177.33 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 111.733 -0.547 . . . . 0.0 111.733 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.2 -171.25 2.36 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.427 -0.212 . . . . 0.0 110.427 -179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.12 -36.13 83.29 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.244 0.545 . . . . 0.0 109.736 177.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 0.2 OUTLIER -84.01 136.07 41.62 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.735 175.013 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 22.6 Cg_exo -65.52 154.38 73.96 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.484 2.123 . . . . 0.0 111.598 -179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.27 87.03 4.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.032 0.444 . . . . 0.0 110.313 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.459 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 1.1 mm? -83.88 -154.03 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.054 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.484 ' HB3' HD12 ' A' ' 23' ' ' LEU . 19.3 m-85 -107.87 116.18 31.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.764 178.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.3 tp -95.87 135.22 37.89 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.169 -171.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 8.3 t -85.04 147.87 26.45 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 168.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -95.72 -7.39 37.47 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.115 -177.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -107.8 -28.29 9.75 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.483 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 83.3 m -101.35 -33.71 9.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.165 175.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 6.2 mt 62.66 34.79 14.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.712 -173.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.43 143.82 36.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.383 177.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.413 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 31.5 m-85 -88.62 117.7 27.76 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.182 0.515 . . . . 0.0 111.019 -177.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.423 ' HG3' HD23 ' A' ' 23' ' ' LEU . 12.0 mmt -82.64 137.59 34.45 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.725 179.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.3 mmtp -79.64 -14.5 58.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.993 -173.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -134.67 152.15 51.56 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.872 0.368 . . . . 0.0 111.129 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 20' ' ' ARG . 2.3 ttt180 -65.91 -45.8 80.63 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.31 178.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.59 -39.29 79.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.357 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.74 -55.19 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.826 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.484 HD12 ' HB3' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -63.69 -34.47 77.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.217 -179.031 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -60.09 -49.1 78.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.2 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -80.12 -24.8 40.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.953 0.406 . . . . 0.0 110.528 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 27.4 t60 -64.33 -54.33 34.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.672 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.5 mtp -69.57 -12.72 61.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 111.211 -175.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.18 -36.61 40.02 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.084 175.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -40.34 20.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.415 177.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.85 -23.71 64.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.768 178.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.69 -13.57 71.8 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.475 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 50.6 m95 -81.71 69.24 8.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.152 0.501 . . . . 0.0 110.2 177.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.353 -0.832 . . . . 0.0 110.231 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.766 0 N-CA-C 112.054 -0.418 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.95 47.4 1.38 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.079 0.466 . . . . 0.0 110.996 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.47 -29.35 17.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.267 0.556 . . . . 0.0 110.062 177.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.08 157.66 76.46 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.454 176.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -68.74 -178.04 1.8 Allowed 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.765 2.31 . . . . 0.0 112.316 -177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.09 81.36 2.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.375 0.607 . . . . 0.0 111.158 -179.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 14.8 mt -103.58 -144.52 0.36 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.813 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.839 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 79.9 m-85 -84.76 102.8 13.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 174.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.502 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 46.3 tp -84.16 122.73 29.25 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.059 -176.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.556 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 6.8 t -80.69 112.79 18.39 Favored 'General case' 0 N--CA 1.44 -0.932 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 173.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.09 9.28 1.65 Allowed 'General case' 0 C--N 1.309 -1.171 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.571 -178.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.556 ' HB2' ' SG ' ' A' ' 10' ' ' CYS . 22.1 m-85 -99.6 -42.37 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 121.35 -0.14 . . . . 0.0 111.118 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.8 p -122.04 -6.52 8.94 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.881 0.372 . . . . 0.0 111.142 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 mt 62.99 46.74 4.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.693 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.05 152.13 28.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.317 172.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.502 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 44.6 m-85 -99.84 127.45 46.0 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.151 0.5 . . . . 0.0 111.639 -176.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.938 ' HG3' HD23 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -100.89 139.62 36.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.83 177.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -31.21 45.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.578 -175.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -123.53 151.89 42.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.003 0.43 . . . . 0.0 111.401 -178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 20' ' ' ARG . 3.6 ttm180 -61.55 -42.41 98.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.84 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.8 t -61.55 -27.4 68.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.021 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.17 -52.12 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.938 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.3 OUTLIER -56.4 -44.73 80.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.143 178.327 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -60.6 -48.68 80.72 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.523 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -75.5 -36.66 60.54 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.832 0.349 . . . . 0.0 111.229 -177.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -63.44 -40.19 96.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.774 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 6.6 mtt -62.74 -15.76 54.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.734 -176.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -83.17 -26.61 30.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.743 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 30' ' ' CYS . 0.1 OUTLIER -90.93 -27.83 18.48 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 0.0 110.656 179.404 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.471 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -78.09 -56.01 4.82 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.715 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -94.36 66.13 1.5 Allowed Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 173.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.444 ' CD1' ' HA ' ' A' ' 29' ' ' LYS . 0.1 OUTLIER -63.63 -41.4 98.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.835 0.35 . . . . 0.0 111.275 -175.769 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.843 -0.598 . . . . 0.0 110.285 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 111.895 -0.482 . . . . 0.0 111.895 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.49 43.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.814 0.34 . . . . 0.0 111.101 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.9 mtm180 -139.79 154.07 47.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.489 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.23 104.7 49.98 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.151 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -67.2 -73.97 0.02 OUTLIER 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.795 2.33 . . . . 0.0 112.649 -176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.44 162.44 33.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.422 ' HA ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -150.53 -178.95 6.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.859 0.361 . . . . 0.0 110.128 176.657 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.517 ' CE1' ' HG3' ' A' ' 20' ' ' ARG . 97.8 m-85 -83.57 83.32 7.94 Favored 'General case' 0 N--CA 1.434 -1.267 0 CA-C-O 120.966 0.412 . . . . 0.0 110.539 -178.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.437 HD13 ' CE1' ' A' ' 16' ' ' TYR . 23.9 tp -73.1 126.38 29.86 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.116 -176.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.509 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -63.08 -37.82 88.74 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.208 178.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' HG2' HD23 ' A' ' 9' ' ' LEU . 10.3 mt-10 75.31 -7.64 1.73 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.874 0.87 . . . . 0.0 112.886 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.522 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 42.7 m-85 -104.59 -48.51 3.78 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.509 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 5.5 m -89.09 -16.11 32.31 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 167.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 11' ' ' GLU . 8.4 mt 61.48 45.43 8.38 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 114.558 -1.201 . . . . 0.0 110.787 -178.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -110.31 146.06 36.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.454 -0.793 . . . . 0.0 110.167 177.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.437 ' CE1' HD13 ' A' ' 9' ' ' LEU . 45.4 m-85 -87.2 112.01 21.56 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -178.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.689 ' HG3' HD23 ' A' ' 23' ' ' LEU . 19.3 mmt -88.12 145.37 25.97 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 175.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.51 -30.11 23.69 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.769 -173.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.6 m -123.23 155.6 36.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.8 0.333 . . . . 0.0 111.536 -176.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.517 ' HG3' ' CE1' ' A' ' 8' ' ' TYR . 0.8 OUTLIER -62.64 -46.71 86.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.133 177.075 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.21 -44.82 92.25 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.771 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.55 HG22 ' HB3' ' A' ' 17' ' ' MET . 13.9 mt -62.37 -40.31 87.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.13 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.689 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -66.68 -47.8 71.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.068 0.461 . . . . 0.0 110.358 178.682 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -64.05 -42.41 97.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.268 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.435 HE21 ' HB3' ' A' ' 25' ' ' GLN . 1.2 pt20 -71.74 -25.09 61.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.656 178.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 49.2 t60 -67.23 -43.62 81.53 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 175.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 9.0 mtt -61.87 -15.83 45.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.562 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.26 -30.6 48.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.169 176.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.62 -33.61 16.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.214 0.531 . . . . 0.0 109.651 176.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.522 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 5.1 t -59.2 -41.21 88.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.166 177.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -79.6 -9.2 87.1 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.305 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -90.03 75.41 7.13 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.058 0.456 . . . . 0.0 110.632 178.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.8 p90 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.6 -0.714 . . . . 0.0 109.984 179.449 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 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 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -39.56 83.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.861 0.362 . . . . 0.0 111.177 -178.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -92.9 70.85 4.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.992 0.425 . . . . 0.0 110.188 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.614 ' HG ' ' HD2' ' A' ' 5' ' ' PRO . 1.8 tp -97.5 146.33 31.2 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.146 -179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.614 ' HD2' ' HG ' ' A' ' 4' ' ' LEU . 19.6 Cg_endo -59.38 137.38 77.95 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.435 2.09 . . . . 0.0 111.94 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.7 102.55 13.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.168 0.508 . . . . 0.0 110.077 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.48 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 3.1 mm? -86.31 -153.15 0.19 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.234 -178.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.603 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 9.4 m-85 -99.52 139.41 35.22 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.671 ' HG ' ' HE1' ' A' ' 16' ' ' TYR . 0.7 OUTLIER -105.6 120.23 41.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.746 0.308 . . . . 0.0 111.538 -175.23 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.502 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -63.75 -39.24 93.79 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.005 177.767 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 56.4 mt-10 73.75 -4.95 2.12 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.558 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.661 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 32.0 m-85 -98.42 -48.39 5.05 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 173.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.502 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 4.5 m -90.5 -18.62 24.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.45 167.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.588 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . 4.3 mt 64.72 42.11 4.83 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 114.394 -1.275 . . . . 0.0 109.859 -174.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' HE2' ' HB3' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -106.27 151.23 25.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.564 -179.553 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.671 ' HE1' ' HG ' ' A' ' 9' ' ' LEU . 2.7 m-30 -96.03 107.98 20.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.587 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.626 ' HE3' ' HB2' ' A' ' 23' ' ' LEU . 2.1 mpp? -77.06 147.27 36.8 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.496 174.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.1 -22.4 49.01 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.864 0.364 . . . . 0.0 110.957 -177.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -143.39 157.6 44.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.368 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -30.88 65.6 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.22 -33.83 76.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.64 174.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.2 mt -68.84 -40.5 81.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.203 176.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.626 ' HB2' ' HE3' ' A' ' 17' ' ' MET . 41.5 tp -60.95 -34.08 74.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 178.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -57.82 -40.14 79.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.497 178.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.492 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 26.3 mm-40 -79.28 -37.3 38.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.318 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 46.4 t60 -57.93 -44.04 86.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.902 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.598 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . 1.2 mtt -71.12 -6.59 40.44 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.729 -175.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -73.44 -45.17 56.0 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 171.248 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.43 -33.15 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.679 174.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.661 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -84.36 36.12 0.57 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.792 174.32 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -171.89 59.0 0.16 Allowed Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.864 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.27 -35.79 54.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.887 0.375 . . . . 0.0 111.021 -176.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 . . . . . 0 C--O 1.246 0.879 0 CA-C-O 118.843 -0.598 . . . . 0.0 110.025 -179.841 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -84.02 53.79 2.71 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.353 0.596 . . . . 0.0 110.98 179.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.35 140.71 49.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.251 175.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -71.71 118.9 70.72 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.84 0.352 . . . . 0.0 110.65 -178.075 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 3.7 Cg_endo -87.72 -153.32 0.04 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.851 0 C-N-CA 123.375 2.716 . . . . 0.0 111.505 -178.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.91 156.39 27.31 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 175.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.45 ' HA ' HD13 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -131.31 -166.87 1.77 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.818 0.342 . . . . 0.0 110.432 -177.372 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.469 ' CD2' ' HG3' ' A' ' 20' ' ' ARG . 1.9 m-85 -84.53 94.16 8.51 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 173.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.451 HD11 ' HA ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -93.83 135.29 35.29 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.007 -167.788 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 13.5 t -74.48 122.73 23.5 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 170.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.54 -3.95 37.09 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -104.88 -33.18 8.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.854 0.359 . . . . 0.0 110.686 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 84.6 m -96.66 -27.85 14.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.381 177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.451 ' HA ' HD11 ' A' ' 9' ' ' LEU . 5.3 mt 60.24 47.94 8.68 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.77 -1.104 . . . . 0.0 110.182 -172.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.38 137.78 54.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.043 179.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.419 ' CG ' ' HB2' ' A' ' 7' ' ' LEU . 6.5 m-30 -81.82 104.15 11.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.412 -177.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.506 ' SD ' HG22 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -84.01 144.86 28.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 174.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.56 -27.78 25.31 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -171.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -126.36 140.05 52.81 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 -179.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.469 ' HG3' ' CD2' ' A' ' 8' ' ' TYR . 4.1 ttt180 -70.09 -25.91 63.74 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 120.903 -0.319 . . . . 0.0 111.38 -176.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -65.45 -42.3 92.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.317 0.58 . . . . 0.0 109.952 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.506 HG22 ' SD ' ' A' ' 17' ' ' MET . 24.2 mt -62.83 -44.53 99.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.248 176.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.496 HD23 ' SD ' ' A' ' 17' ' ' MET . 0.1 OUTLIER -66.96 -39.01 87.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.017 179.078 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -49.37 75.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.837 0.351 . . . . 0.0 110.388 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -60.7 -38.08 83.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.472 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -68.25 -52.7 30.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.389 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 4.8 mtt -64.21 -23.66 67.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.808 0.337 . . . . 0.0 111.334 -174.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -81.16 -10.36 59.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.431 179.148 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -105.64 -39.59 6.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.016 176.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.84 -51.66 60.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.105 177.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -85.8 50.84 4.37 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.878 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -71.74 -43.48 65.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.984 0.421 . . . . 0.0 110.797 178.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.212 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.037 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.87 97.77 7.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.963 0.411 . . . . 0.0 110.643 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 3' ' ' ARG . 1.7 tpp180 -119.82 125.92 49.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.251 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -131.91 103.57 14.34 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.34 179.685 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.433 ' HB2' HD22 ' A' ' 7' ' ' LEU . 21.5 Cg_exo -65.38 144.5 80.31 Favored 'Trans proline' 0 C--O 1.238 0.507 0 C-N-CA 122.499 2.133 . . . . 0.0 111.767 -179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -90.82 84.52 5.83 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.594 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.522 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 0.6 OUTLIER -76.54 -148.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.981 -177.334 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.522 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 17.4 m-85 -109.99 109.98 20.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.689 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.482 HD13 ' CE1' ' A' ' 16' ' ' TYR . 10.7 tp -88.57 137.97 31.85 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.241 -169.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.0 t -83.08 132.81 35.1 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 167.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.24 -2.0 26.01 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.567 -177.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -121.04 -37.82 2.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.788 0.328 . . . . 0.0 111.329 -177.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.458 ' HB3' ' HG2' ' A' ' 15' ' ' LYS . 78.0 m -91.51 -33.96 14.97 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.095 0.474 . . . . 0.0 109.758 176.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mt 60.02 37.53 21.17 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 114.241 -1.345 . . . . 0.0 110.098 -174.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HG2' ' HB3' ' A' ' 13' ' ' CYS . 9.9 mmtp -100.82 153.29 19.6 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 114.537 -1.21 . . . . 0.0 109.24 174.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.482 ' CE1' HD13 ' A' ' 9' ' ' LEU . 47.9 m-85 -89.95 108.35 19.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.039 0.447 . . . . 0.0 111.541 -175.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.86 ' HG3' HD23 ' A' ' 23' ' ' LEU . 20.4 mmt -79.77 139.35 37.29 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.619 176.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -34.02 44.09 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -171.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 m -121.54 145.98 47.41 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.739 0.304 . . . . 0.0 110.962 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.0 ttp85 -60.46 -45.11 94.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.077 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -23.65 66.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.795 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 mt -74.88 -39.64 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.131 175.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.86 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.2 OUTLIER -66.55 -48.33 70.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.092 179.186 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.87 -25.53 67.23 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.726 -179.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -74.28 -42.14 60.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.168 0.509 . . . . 0.0 109.829 174.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.5 t60 -68.95 -52.07 33.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.503 -178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.55 -15.96 63.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.915 -171.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -84.71 -16.14 42.78 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.17 0.51 . . . . 0.0 109.759 175.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.18 -41.73 10.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.412 176.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -52.26 39.7 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.169 176.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -87.47 60.06 4.32 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 121.148 -0.549 . . . . 0.0 111.919 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.78 -72.37 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.389 -0.815 . . . . 0.0 110.025 177.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.997 0 N-CA-C 111.694 -0.562 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -40.77 98.01 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 4' ' ' LEU . 6.8 mmm180 -106.64 123.82 48.69 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.326 172.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.505 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.3 mt 71.49 135.07 0.04 OUTLIER Pre-proline 0 N--CA 1.465 0.294 0 O-C-N 123.904 0.753 . . . . 0.0 111.325 -177.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.505 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 6.8 Cg_exo -73.98 -179.25 4.46 Favored 'Trans proline' 0 N--CA 1.462 -0.373 0 C-N-CA 123.024 2.482 . . . . 0.0 112.052 -178.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.27 101.64 14.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.087 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.481 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 0.9 OUTLIER -122.32 -149.95 0.44 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.348 -178.487 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.623 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 5.5 m-85 -103.36 100.03 9.9 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.621 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 26.8 tp -78.55 119.35 21.71 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.049 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -63.78 -32.19 73.62 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.325 178.851 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 33.3 mt-10 70.42 1.34 3.58 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 115.127 -0.942 . . . . 0.0 112.692 173.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.488 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 61.6 m-85 -112.53 -52.75 2.76 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 176.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.471 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 2.7 m -90.42 -17.64 26.84 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 168.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 mt 66.37 37.06 4.93 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 114.548 -1.206 . . . . 0.0 111.313 179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.69 156.94 16.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.397 172.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.452 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 51.5 m-85 -106.72 123.58 48.34 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.942 0.401 . . . . 0.0 110.952 -177.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.784 ' HG3' ' HA ' ' A' ' 23' ' ' LEU . 5.6 mmt -89.75 148.82 23.02 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 177.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -79.17 -39.69 32.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.748 0.309 . . . . 0.0 110.612 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -128.39 160.54 31.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.093 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.97 -36.35 81.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.412 179.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -45.15 80.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.127 177.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.553 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 7.4 mt -67.79 -40.86 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.636 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.784 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -62.83 -43.59 98.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.484 -178.321 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -67.01 -35.87 80.88 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.173 -179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.553 ' NE2' ' HA ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -77.29 -32.54 55.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.761 179.141 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.698 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 25.1 t60 -66.23 -44.87 82.55 Favored 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.51 ' HA ' ' CB ' ' A' ' 30' ' ' CYS . 24.7 mtt -63.61 -14.7 54.15 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 111.898 0.333 . . . . 0.0 111.898 -174.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -55.13 10.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.245 173.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.698 ' HD3' ' HA ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -79.16 -11.12 59.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 177.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.51 ' CB ' ' HA ' ' A' ' 27' ' ' MET . 36.9 t -63.53 -50.72 68.42 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 177.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -91.04 19.11 48.18 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.311 176.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.606 ' HB2' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -80.24 -11.42 59.73 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.016 0.436 . . . . 0.0 110.571 177.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.385 -0.817 . . . . 0.0 109.619 179.203 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.742 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -130.97 60.92 1.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.388 . . . . 0.0 110.919 -177.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.84 70.27 10.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.046 0.451 . . . . 0.0 110.133 178.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.467 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -122.3 129.3 25.14 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.314 -178.74 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 11.4 Cg_exo -69.08 -77.55 0.01 OUTLIER 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.74 2.293 . . . . 0.0 111.631 179.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.24 99.13 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.229 0.538 . . . . 0.0 110.499 176.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.731 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 30.6 mt -84.84 -149.24 0.11 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.976 -177.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.469 ' O ' ' HA ' ' A' ' 16' ' ' TYR . 21.4 m-85 -97.42 128.48 44.25 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 177.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 tp -100.17 136.03 40.7 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -172.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 t -86.74 138.05 31.94 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 167.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -84.56 -6.56 59.38 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.848 -178.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.508 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 6.3 m-85 -109.36 -29.17 8.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 -176.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 88.7 m -99.68 -35.65 9.75 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.18 0.514 . . . . 0.0 109.908 175.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt 63.93 36.06 10.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.105 -1.407 . . . . 0.0 109.477 -171.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 150.28 32.04 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.184 -1.371 . . . . 0.0 109.409 176.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.731 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 36.5 m-85 -92.77 131.41 37.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.012 0.434 . . . . 0.0 111.631 -175.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.593 ' HG3' HD13 ' A' ' 23' ' ' LEU . 2.6 mmt -98.98 154.36 18.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.007 178.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.65 -33.72 46.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -174.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.2 p -131.78 158.19 41.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.849 0.357 . . . . 0.0 110.995 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -66.85 -38.74 86.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.541 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.504 ' HA ' ' HB2' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -70.59 -26.17 63.39 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.112 -179.425 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.7 mt -66.71 -43.4 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 173.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.593 HD13 ' HG3' ' A' ' 17' ' ' MET . 59.1 tp -71.93 -32.54 67.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.72 177.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 21' ' ' THR . 7.8 mt-30 -56.53 -50.6 71.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.98 0.419 . . . . 0.0 110.348 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -71.35 -34.45 70.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.554 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 23' ' ' LEU . 33.7 t60 -63.47 -52.56 60.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.457 -178.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.43 -27.8 69.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.096 -175.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -10.09 59.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.94 178.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 -38.89 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.141 0.496 . . . . 0.0 110.453 176.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.508 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.43 -39.45 71.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.945 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -86.61 35.38 3.36 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.55 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.14 62.34 6.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.014 0.435 . . . . 0.0 110.619 179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.208 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 112.034 -0.426 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.06 145.34 53.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.915 0.388 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.57 60.89 1.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.275 -178.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.768 ' HB3' HD23 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -79.76 128.38 74.59 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.431 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -75.64 -92.11 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 122.437 2.091 . . . . 0.0 112.277 -177.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.47 115.85 27.21 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.141 0.496 . . . . 0.0 110.105 176.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.768 HD23 ' HB3' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -135.88 -156.31 0.7 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.029 -178.515 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.449 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -123.94 106.65 10.59 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 -179.557 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.678 HD22 ' HE1' ' A' ' 16' ' ' TYR . 0.5 OUTLIER -96.08 157.86 15.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.234 0.54 . . . . 0.0 111.391 -173.681 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.467 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 5.6 t -81.92 143.14 31.87 Favored 'General case' 0 N--CA 1.429 -1.486 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.489 174.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -75.36 -11.15 59.99 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.837 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.409 ' CD2' ' HB3' ' A' ' 30' ' ' CYS . 4.5 m-85 -112.82 -27.58 8.07 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.395 -178.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 10' ' ' CYS . 73.9 m -102.58 -34.84 8.95 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.155 0.503 . . . . 0.0 110.185 178.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.569 ' HA ' HD12 ' A' ' 9' ' ' LEU . 1.0 OUTLIER 62.51 29.02 17.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.782 -178.129 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.49 122.77 43.75 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 114.822 -1.081 . . . . 0.0 109.951 177.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.678 ' HE1' HD22 ' A' ' 9' ' ' LEU . 14.2 m-30 -62.95 117.89 7.04 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.626 -177.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.64 ' HG3' HD23 ' A' ' 23' ' ' LEU . 23.5 mmt -93.31 146.78 23.46 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 174.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt -79.81 -23.66 41.91 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 111.784 0.291 . . . . 0.0 111.784 -172.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.47 142.7 50.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.696 0.284 . . . . 0.0 110.83 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.31 -37.95 87.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.393 177.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.53 -43.18 84.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.248 178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.475 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 10.7 mt -67.18 -47.13 82.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.682 179.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.64 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.1 OUTLIER -62.7 -40.38 96.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.196 -178.284 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -62.81 -50.56 70.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.045 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -66.08 -22.34 66.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 0.0 111.02 179.058 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 28.5 t60 -75.62 -54.23 7.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.011 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 40.3 mtp -64.26 -19.54 65.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.553 -174.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -26.34 64.52 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.745 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.496 ' HG3' ' N ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -98.03 -28.4 13.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.153 0.501 . . . . 0.0 110.687 177.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.496 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -74.42 -33.75 63.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.726 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -78.77 50.93 3.69 Favored Glycine 0 N--CA 1.45 -0.422 0 CA-C-N 116.023 -0.535 . . . . 0.0 112.768 -178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.446 ' HB3' ' H ' ' A' ' 33' ' ' PHE . 5.6 m95 -105.36 -156.17 0.56 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 177.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.446 ' H ' ' HB3' ' A' ' 32' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--O 1.248 0.989 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 177.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.786 0 N-CA-C 112.204 -0.359 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 m -102.52 92.84 4.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.741 0.305 . . . . 0.0 111.088 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.86 -35.57 18.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 174.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.645 ' HG ' ' HD2' ' A' ' 5' ' ' PRO . 0.9 OUTLIER -94.56 138.76 22.23 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 114.942 -1.026 . . . . 0.0 108.996 172.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.645 ' HD2' ' HG ' ' A' ' 4' ' ' LEU . 19.5 Cg_endo -62.91 -87.46 0.0 OUTLIER 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.41 2.073 . . . . 0.0 111.953 -178.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.516 ' HB2' ' HE3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -163.56 150.7 12.43 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.044 176.256 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.511 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 0.3 OUTLIER -140.47 -136.33 0.11 Allowed 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 177.127 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.64 ' HB3' HD22 ' A' ' 23' ' ' LEU . 49.9 m-85 -122.17 92.95 3.84 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.433 177.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.0 tp -73.03 123.69 24.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.39 -173.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.427 ' HB3' ' H ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -61.27 -45.67 93.54 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.482 178.649 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 80.15 -20.76 0.36 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.886 1.274 . . . . 0.0 111.967 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.429 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 19.8 m-85 -80.26 -51.23 9.17 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.5 p -112.66 -1.06 14.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.415 172.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.9 mt 62.95 55.43 2.0 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.051 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.427 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -103.98 143.87 32.29 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.284 175.136 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -98.53 112.08 24.23 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.941 0.4 . . . . 0.0 110.626 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.7 mmm -91.47 150.09 21.39 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.605 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.06 -31.01 44.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.291 -175.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.7 154.05 47.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.324 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ttm105 -66.55 -25.23 66.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.8 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.07 -46.94 88.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.611 177.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 mp -67.5 -42.67 87.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.253 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.64 HD22 ' HB3' ' A' ' 8' ' ' TYR . 14.4 tp -58.78 -37.01 75.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.919 177.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -26.07 68.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.635 -0.712 . . . . 0.0 111.317 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -88.78 -39.6 13.8 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -58.36 -41.59 85.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 29.8 mtt -64.61 -16.53 62.86 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.761 -176.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.43 -47.5 27.01 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.585 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.45 ' H ' ' HG3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -77.58 -37.39 50.61 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.931 -0.308 . . . . 0.0 110.891 -178.495 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -70.71 -27.87 64.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.158 -179.755 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.31 -14.26 79.33 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.735 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -99.63 -69.95 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.729 0.3 . . . . 0.0 110.4 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.131 178.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.771 0 N-CA-C 111.609 -0.596 . . . . 0.0 111.609 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.08 153.33 36.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.652 0.263 . . . . 0.0 110.606 177.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mtt-85 -93.58 -83.39 0.33 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -126.63 83.01 65.9 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.562 174.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.15 133.6 58.66 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.64 2.227 . . . . 0.0 111.664 -177.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -77.91 94.24 4.53 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.831 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -68.97 -171.7 0.33 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.546 -179.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.576 ' HB3' HD22 ' A' ' 23' ' ' LEU . 4.2 m-85 -84.57 94.45 8.59 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.313 177.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 40.7 tp -80.82 121.65 26.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.026 -173.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -60.97 -39.84 91.11 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.987 177.588 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 70.61 -1.36 2.6 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.34 -0.845 . . . . 0.0 112.587 174.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.559 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 18.9 m-85 -104.46 -51.39 3.11 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 176.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.473 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 2.7 m -89.44 -16.6 30.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 165.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.2 mt 66.08 43.19 2.98 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 114.531 -1.213 . . . . 0.0 110.581 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.438 ' HG2' ' HB2' ' A' ' 13' ' ' CYS . 16.9 mmtp -97.66 145.54 26.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.739 175.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -99.06 111.86 24.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.78 0.324 . . . . 0.0 110.656 -178.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.502 ' HG3' ' HA ' ' A' ' 23' ' ' LEU . 33.8 mmt -86.91 142.38 28.05 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.881 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.95 -22.74 31.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.394 -174.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.4 m -135.98 146.71 47.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.59 -0.277 . . . . 0.0 110.647 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -61.49 -41.9 97.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.05 -42.41 85.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.494 178.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.6 mt -65.17 -41.96 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.889 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 8' ' ' TYR . 6.2 tp -61.56 -39.94 92.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.053 0.454 . . . . 0.0 110.683 177.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -66.01 -24.83 66.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.796 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -86.11 -30.35 22.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.468 178.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -68.03 -46.74 70.35 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.119 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.476 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 30.9 mtt -70.98 -179.41 2.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.539 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 27' ' ' MET . 0.0 OUTLIER 73.4 -23.94 0.21 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.375 0.67 . . . . 0.0 111.009 -177.354 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -127.77 -5.08 5.77 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 173.127 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.559 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 2.6 t -54.86 100.56 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 114.707 -1.133 . . . . 0.0 108.408 173.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -18.07 89.0 0.01 OUTLIER Glycine 0 N--CA 1.465 0.632 0 CA-C-N 113.296 -1.774 . . . . 0.0 115.645 -168.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -95.74 -85.34 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 177.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.256 -0.878 . . . . 0.0 109.894 176.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 111.82 -0.512 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -39.94 89.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.662 0.268 . . . . 0.0 110.871 -178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.57 137.64 54.65 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 175.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 70.12 155.6 0.15 Allowed Pre-proline 0 N--CA 1.466 0.373 0 O-C-N 123.959 0.787 . . . . 0.0 110.648 -175.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -63.32 -34.75 65.78 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 122.168 1.912 . . . . 0.0 111.761 -178.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.2 tttt 57.97 57.2 4.22 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.05 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.448 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 1.5 mm? 64.38 -164.7 0.25 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.534 -1.212 . . . . 0.0 110.684 -175.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.61 ' HB3' HD22 ' A' ' 23' ' ' LEU . 17.3 m-85 -121.44 96.72 5.19 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.912 -175.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.486 ' HB2' ' CE1' ' A' ' 16' ' ' TYR . 18.9 tp -80.66 136.44 36.2 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.822 -172.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.667 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 4.0 t -84.15 132.03 34.72 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 169.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -96.51 17.14 16.86 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.421 -177.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -113.2 -46.85 3.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.744 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.9 p -112.26 -2.85 14.74 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 110.267 174.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.667 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 7.3 mt 56.17 65.07 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.284 -0.871 . . . . 0.0 111.885 177.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -129.66 145.05 51.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.332 175.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 9' ' ' LEU . 58.0 m-85 -91.21 130.62 37.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.979 0.419 . . . . 0.0 111.133 -177.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 14.0 mmt -101.33 148.67 24.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.042 177.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -79.13 -29.35 43.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.577 -175.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -135.55 150.76 49.81 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 ttp85 -65.67 -35.68 81.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.983 -178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.11 -25.3 68.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.764 178.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 90.8 mt -74.06 -44.28 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.074 175.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.61 HD22 ' HB3' ' A' ' 8' ' ' TYR . 37.7 tp -66.09 -32.57 74.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.622 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -65.77 -36.31 83.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.576 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -73.27 -19.25 61.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.251 175.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -90.59 -49.44 6.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.377 -176.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 5.1 mtt -77.94 99.69 6.13 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-O 122.171 0.986 . . . . 0.0 110.473 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.63 ' HD3' ' N ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER 171.15 -11.65 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 112.56 -2.109 . . . . 0.0 109.064 178.716 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.63 ' N ' ' HD3' ' A' ' 28' ' ' LYS . 0.9 OUTLIER -125.7 -44.05 1.83 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.683 -177.758 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -58.16 -45.71 86.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.903 -177.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.89 9.65 51.4 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.925 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -119.65 -102.04 0.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.467 -0.777 . . . . 0.0 110.502 -178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 112.129 -0.388 . . . . 0.0 112.129 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.07 14.95 5.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.109 0.481 . . . . 0.0 110.64 179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.02 61.64 2.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.337 0.589 . . . . 0.0 109.73 176.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.6 mp -96.94 119.39 63.59 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.253 -178.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 4' ' ' LEU . 24.2 Cg_exo -66.65 127.32 16.93 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.839 2.359 . . . . 0.0 112.377 -176.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.43 100.95 13.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.729 177.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 18' ' ' LYS . 1.7 mm? -76.51 -167.42 0.8 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.842 -177.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.702 ' HB3' ' HG ' ' A' ' 23' ' ' LEU . 5.3 m-85 -103.74 127.3 51.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.122 -177.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.524 HD13 ' HE1' ' A' ' 16' ' ' TYR . 44.7 tp -99.7 118.57 36.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.986 0.422 . . . . 0.0 111.326 -176.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.468 ' SG ' ' N ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -64.58 -31.65 72.96 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.369 178.019 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 72.62 -14.88 0.53 Allowed 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.212 -0.904 . . . . 0.0 113.349 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.696 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 55.5 m-85 -97.59 -54.23 3.19 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.497 ' HB2' ' HG2' ' A' ' 15' ' ' LYS . 2.1 m -87.76 -17.07 32.47 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 168.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mt 62.81 47.7 4.45 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 114.24 -1.345 . . . . 0.0 110.611 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.497 ' HG2' ' HB2' ' A' ' 13' ' ' CYS . 27.9 mmtm -104.49 146.62 28.61 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.9 177.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.524 ' HE1' HD13 ' A' ' 9' ' ' LEU . 2.9 m-30 -91.06 122.63 33.87 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.146 0.498 . . . . 0.0 111.159 -178.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.618 ' HG3' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -97.62 143.72 28.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.788 177.685 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.503 ' HA ' HD12 ' A' ' 7' ' ' LEU . 3.1 mptt -79.47 -18.43 52.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.397 -176.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.0 p -149.35 168.92 22.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.776 0.322 . . . . 0.0 110.625 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 ttt-85 -80.36 -16.82 53.65 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.398 177.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.27 -31.63 65.93 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 174.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.8 mt -79.81 -41.85 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.101 175.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.702 ' HG ' ' HB3' ' A' ' 8' ' ' TYR . 0.0 OUTLIER -58.59 -42.17 87.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.693 178.183 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -69.03 -38.69 79.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.891 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -73.58 -33.78 64.8 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -69.62 -50.27 45.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.654 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.579 ' HA ' ' HB3' ' A' ' 30' ' ' CYS . 28.9 mtp -68.36 178.45 1.96 Allowed 'General case' 0 C--O 1.238 0.46 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.813 -178.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.523 ' HB2' ' O ' ' A' ' 27' ' ' MET . 0.3 OUTLIER 76.08 -52.71 0.62 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.783 -174.297 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -36.26 49.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.493 172.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.696 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 9.9 t -58.26 -64.53 0.88 Allowed 'General case' 0 C--O 1.235 0.336 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.634 176.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.42 60.02 4.92 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.336 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -83.65 54.14 2.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.059 0.457 . . . . 0.0 111.327 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.8 p90 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.343 -0.837 . . . . 0.0 109.543 176.059 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.804 0 N-CA-C 112.063 -0.415 . . . . 0.0 112.063 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -41.6 88.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.069 0.461 . . . . 0.0 110.622 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.64 147.89 23.86 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.933 175.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.521 ' O ' ' HE3' ' A' ' 6' ' ' LYS . 0.9 OUTLIER -64.61 120.33 64.8 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.053 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -71.69 -16.09 30.1 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.605 2.203 . . . . 0.0 112.458 -177.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.521 ' HE3' ' O ' ' A' ' 4' ' ' LEU . 1.0 OUTLIER 61.9 64.2 1.03 Allowed 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.662 -175.84 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.499 ' HB3' ' H ' ' A' ' 8' ' ' TYR . 2.8 mm? 62.53 -142.72 0.4 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.289 -174.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.499 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 69.3 m-85 -123.0 100.29 6.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.005 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.87 ' HG ' ' CE1' ' A' ' 16' ' ' TYR . 0.6 OUTLIER -73.19 128.17 34.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.305 -175.241 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.494 ' O ' ' HB2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -68.59 -49.45 59.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.198 176.774 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.494 ' HB2' ' O ' ' A' ' 10' ' ' CYS . 4.6 mt-10 77.59 -10.36 1.36 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.328 177.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.445 ' HE2' ' HG2' ' A' ' 27' ' ' MET . 64.3 m-85 -88.86 -43.13 11.44 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 174.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 19.7 p -122.25 -0.78 9.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.921 172.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' HA ' ' CD2' ' A' ' 9' ' ' LEU . 4.1 mt 62.35 53.53 2.77 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.516 177.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.9 tptm -118.94 121.6 40.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.078 177.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.87 ' CE1' ' HG ' ' A' ' 9' ' ' LEU . 16.8 m-85 -70.95 127.18 31.71 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.846 -176.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.729 ' HG3' ' HA ' ' A' ' 23' ' ' LEU . 36.3 mmt -98.1 150.16 21.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.49 174.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.27 -26.39 35.79 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.621 -173.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -130.79 157.64 42.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.641 0.258 . . . . 0.0 111.081 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -43.07 93.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.58 178.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.426 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -62.49 -41.77 99.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.817 179.012 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.418 ' HA ' ' CD ' ' A' ' 25' ' ' GLN . 59.4 mt -64.92 -37.69 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.852 179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.729 ' HA ' ' HG3' ' A' ' 17' ' ' MET . 0.0 OUTLIER -62.67 -38.74 91.51 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 177.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.83 -40.16 95.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.692 176.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 28' ' ' LYS . 35.4 mt-30 -63.79 -43.95 94.8 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.243 0.544 . . . . 0.0 110.14 175.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.876 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 32.2 t60 -61.98 -41.59 98.19 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.834 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.445 ' HG2' ' HE2' ' A' ' 12' ' ' PHE . 26.9 mtt -65.43 -8.45 19.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.708 -178.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 25' ' ' GLN . 0.8 OUTLIER -78.7 -49.29 13.38 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.858 176.024 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.876 ' HD2' ' HA ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -70.92 -37.82 72.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.45 0.643 . . . . 0.0 110.074 176.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.73 52.17 2.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.441 176.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -179.29 -45.89 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.421 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 40.6 t-105 -94.36 -73.58 0.57 Allowed 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 174.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.193 -0.908 . . . . 0.0 109.893 176.182 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 111.765 -0.534 . . . . 0.0 111.765 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.58 165.6 23.28 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 177.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? 63.02 25.38 14.99 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.552 0.533 . . . . 0.0 111.527 179.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 tp 58.44 81.82 0.24 Allowed Pre-proline 0 N--CA 1.464 0.269 0 O-C-N 123.574 0.546 . . . . 0.0 110.982 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -74.32 -151.49 0.04 OUTLIER 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 123.263 2.642 . . . . 0.0 113.051 -176.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.0 mttm 67.67 57.05 0.55 Allowed 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.503 0.668 . . . . 0.0 109.381 -174.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.928 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 12.1 mt -116.15 -166.31 1.13 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.758 -175.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.663 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -93.71 129.93 39.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 178.584 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 15.3 tp -92.14 135.48 33.94 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.704 -174.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.551 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 2.6 t -83.67 131.14 34.96 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 172.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -85.41 6.13 27.94 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.082 -178.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.599 ' HB3' ' HE1' ' A' ' 33' ' ' PHE . 68.3 m-85 -111.98 -40.22 4.3 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.739 -175.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 25.6 p -124.75 -1.07 7.95 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.771 175.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 10' ' ' CYS . 1.4 mt 55.56 60.39 3.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.944 176.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 mmtm -127.05 157.44 39.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.175 -0.92 . . . . 0.0 108.941 173.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.928 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 64.2 m-85 -100.38 128.53 46.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.679 0.276 . . . . 0.0 111.584 -175.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.63 ' O ' ' HB3' ' A' ' 7' ' ' LEU . 5.7 mmt -92.17 147.61 22.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.627 178.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -27.31 41.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.586 0.232 . . . . 0.0 111.46 -178.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 m -135.47 149.54 49.58 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.672 0.272 . . . . 0.0 110.564 178.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -66.51 -34.26 77.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.681 -175.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.07 -27.64 68.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.922 0.391 . . . . 0.0 110.229 177.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.1 mt -74.46 -40.37 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.564 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.907 174.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.663 ' HG ' ' HB2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -62.79 -37.45 86.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.215 178.688 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -64.3 -55.53 20.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.232 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -63.64 -34.23 77.37 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.812 0.339 . . . . 0.0 110.839 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -67.67 -51.89 44.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.03 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.418 ' HG3' HD22 ' A' ' 23' ' ' LEU . 24.9 mtm -62.04 -24.29 66.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.887 0.375 . . . . 0.0 111.526 -174.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' N ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -77.25 -21.56 53.51 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.728 179.587 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -95.48 -36.53 11.28 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.196 0.522 . . . . 0.0 110.824 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.412 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -71.69 -32.56 67.97 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.477 178.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.02 46.89 2.49 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.208 -0.52 . . . . 0.0 112.992 -178.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -119.69 28.78 7.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.018 0.437 . . . . 0.0 109.978 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.599 ' HE1' ' HB3' ' A' ' 12' ' ' PHE . 3.7 p90 . . . . . 0 C--O 1.253 1.247 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.593 177.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 112.421 -0.271 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -79.79 142.46 35.32 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.349 -0.241 . . . . 0.0 110.349 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 3' ' ' ARG . 3.2 mtm180 72.1 -72.17 0.12 Allowed 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.782 0.677 . . . . 0.0 110.473 -175.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.473 HD13 ' HE2' ' A' ' 6' ' ' LYS . 0.2 OUTLIER -105.22 129.99 23.84 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 173.66 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -53.56 -39.01 84.13 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 123.042 2.494 . . . . 0.0 112.473 -177.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.473 ' HE2' HD13 ' A' ' 4' ' ' LEU . 2.9 mptp? 55.17 61.01 3.1 Favored 'General case' 0 C--N 1.331 -0.218 0 O-C-N 123.768 0.668 . . . . 0.0 110.737 179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -105.67 -167.48 1.33 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.005 178.515 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.863 ' HB2' ' HG ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -119.38 129.54 54.87 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.632 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 25.9 tp -93.03 145.09 24.64 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.673 -173.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.535 ' SG ' ' N ' ' A' ' 11' ' ' GLU . 19.1 t -76.49 -176.86 3.88 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 172.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.535 ' N ' ' SG ' ' A' ' 10' ' ' CYS . 0.7 OUTLIER -131.65 -7.89 3.63 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.797 -179.392 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.569 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 69.1 m-85 -113.26 -39.8 4.06 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.149 -175.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.4 p -115.75 -13.49 11.41 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.635 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.4 mt 58.24 66.01 1.18 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.866 176.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.457 ' H ' ' HB3' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -121.32 160.74 23.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.299 -0.864 . . . . 0.0 108.735 172.362 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.404 ' HB3' ' CB ' ' A' ' 7' ' ' LEU . 73.2 m-85 -101.19 125.83 47.85 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 -177.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.559 ' CG ' HD23 ' A' ' 23' ' ' LEU . 7.1 mmt -93.32 143.25 26.45 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.21 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 -25.44 27.42 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.627 0.251 . . . . 0.0 111.318 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.6 m -124.99 143.71 50.76 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 177.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 20' ' ' ARG . 5.7 ttp85 -66.04 -35.4 80.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.393 -175.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.05 -34.6 75.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.089 0.471 . . . . 0.0 110.923 178.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.4 mt -66.27 -50.28 69.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.836 176.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.863 ' HG ' ' HB2' ' A' ' 8' ' ' TYR . 0.1 OUTLIER -58.43 -42.97 88.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.277 178.577 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -58.31 -50.29 74.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.806 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -70.03 -36.65 75.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.894 0.378 . . . . 0.0 111.215 178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -59.54 -41.19 89.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.133 -177.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.5 mtt -66.75 -20.19 65.9 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.302 -176.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 13.91 33.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.906 0.384 . . . . 0.0 110.157 175.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -122.4 -30.54 3.94 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.408 0.623 . . . . 0.0 110.465 -178.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.569 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -81.13 -7.71 59.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.96 -178.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.75 59.99 0.34 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.695 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -132.86 1.44 3.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.779 0.323 . . . . 0.0 111.365 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.131 -0.937 . . . . 0.0 110.12 -179.106 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.93 -18.07 54.44 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -177.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -72.77 -84.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.709 0.29 . . . . 0.0 110.481 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tp -157.04 117.49 2.06 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.513 178.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -64.77 -22.08 64.15 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.976 2.451 . . . . 0.0 112.031 -178.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.3 77.54 7.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.564 173.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.77 ' HB2' ' HB3' ' A' ' 16' ' ' TYR . 3.6 mm? -70.45 -159.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.131 -0.941 . . . . 0.0 111.119 -176.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.443 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 7.5 m-85 -84.96 100.81 11.88 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.904 174.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 10' ' ' CYS . 28.5 tp -80.41 143.48 33.42 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.415 -171.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.422 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 12.7 t -85.4 162.63 18.94 Favored 'General case' 0 N--CA 1.432 -1.348 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -111.0 -10.99 14.36 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.907 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.474 ' HB2' ' SG ' ' A' ' 30' ' ' CYS . 54.5 m-85 -100.94 -45.73 5.33 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 -176.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.1 p -112.22 -16.69 12.94 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.887 0.375 . . . . 0.0 110.407 177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.4 mt 63.61 49.37 3.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.669 178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.5 mmtm -103.49 148.49 25.88 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 172.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.77 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 42.6 m-85 -89.7 111.35 22.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.021 0.439 . . . . 0.0 110.54 -178.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.527 ' HG3' HD23 ' A' ' 23' ' ' LEU . 31.5 mmt -85.15 136.69 33.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.661 178.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -79.47 -8.66 59.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.262 -171.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 m -145.47 146.8 31.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.731 0.3 . . . . 0.0 110.772 178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.7 ttp85 -64.77 -39.28 93.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.498 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -38.46 78.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.123 177.212 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.5 mt -71.62 -46.43 62.6 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.404 178.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.527 HD23 ' HG3' ' A' ' 17' ' ' MET . 0.1 OUTLIER -59.95 -38.47 82.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.091 179.724 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -60.34 -43.65 96.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.052 0.453 . . . . 0.0 110.93 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -73.73 -39.61 64.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.193 0.521 . . . . 0.0 110.233 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -58.83 -57.88 11.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.533 -177.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -25.55 66.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.283 -174.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -28.02 62.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 178.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.07 -33.22 15.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.914 0.387 . . . . 0.0 110.875 178.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 12' ' ' PHE . 0.1 OUTLIER -69.5 -23.38 63.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.829 179.353 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.75 -19.99 69.87 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.726 -0.749 . . . . 0.0 111.991 176.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.2 m95 -86.31 -14.35 43.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.545 0.212 . . . . 0.0 110.547 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.621 -0.704 . . . . 0.0 111.768 177.151 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_