data_6mm4_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6mm4 _Structure_validation_residue.Date_analyzed 2019-09-27 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 ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.141 0 N-CA-C 110.3 -0.259 . . . . 50.0 110.3 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.6 p -80.21 160.15 25.71 Favored 'General case' 0 C--O 1.27 2.149 0 N-CA-C 113.237 0.828 . . . . 25.0 113.237 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.2 p -151.72 173.19 15.01 Favored 'General case' 0 C--O 1.251 1.137 0 O-C-N 124.711 1.257 . . . . 50.0 108.238 172.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.63 -21.64 0.9 Allowed 'General case' 0 C--O 1.244 0.799 0 C-N-CA 123.089 0.555 . . . . 50.0 109.939 170.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 174.153 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--O 1.216 -0.697 0 N-CA-C 107.342 -1.355 . . . . 50.0 107.342 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.97 141.46 49.58 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 174.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.56 -20.58 47.64 Favored Glycine 0 C--N 1.346 1.108 0 N-CA-C 114.758 0.663 . . . . 50.0 114.758 -174.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.4 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 75.2 m -98.64 160.58 14.18 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 106.482 -1.673 . . . . 50.0 106.482 -177.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.1 m -133.66 168.62 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 107.763 -1.199 . . . . 50.0 107.763 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.3 t -109.56 122.92 48.52 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 120.906 -0.317 . . . . 50.0 111.214 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.86 179.91 38.56 Favored Glycine 0 CA--C 1.533 1.169 0 N-CA-C 116.681 1.432 . . . . 50.0 116.681 -173.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.62 -14.89 22.0 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 N-CA-C 116.115 1.544 . . . . 50.0 116.115 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -87.82 -0.15 56.57 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 118.453 0.569 . . . . 50.0 109.642 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.9 19.25 68.03 Favored Glycine 0 N--CA 1.469 0.842 0 CA-C-O 122.032 0.796 . . . . 25.0 111.693 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -120.27 146.12 46.4 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 107.499 -1.297 . . . . 50.0 107.499 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 7.0 t -76.79 148.7 36.46 Favored 'General case' 0 C--O 1.208 -1.093 0 O-C-N 124.724 1.265 . . . . 25.0 109.597 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.849 0 N-CA-C 110.19 -1.164 . . . . 50.0 110.19 -177.49 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.257 1.489 0 CA-C-O 120.947 0.403 . . . . 50.0 110.908 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -79.21 156.07 28.33 Favored 'General case' 0 C--O 1.277 2.513 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 p -149.65 170.5 18.55 Favored 'General case' 0 C--O 1.25 1.097 0 O-C-N 125.127 1.517 . . . . 50.0 109.738 171.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.95 -20.91 0.79 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 109.036 -0.727 . . . . 50.0 109.036 174.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 . . . . . 0 CA--C 1.553 1.082 0 N-CA-C 104.748 -2.315 . . . . 25.0 104.748 172.129 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--O 1.201 -1.465 0 CA-C-O 122.01 0.909 . . . . 50.0 108.559 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.42 133.6 56.24 Favored 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 108.142 -1.059 . . . . 25.0 108.142 174.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.52 -4.75 73.41 Favored Glycine 0 C--N 1.353 1.489 0 CA-C-O 119.619 -0.545 . . . . 50.0 113.452 -174.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.7 m -125.42 155.34 40.57 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 105.849 -1.908 . . . . 50.0 105.849 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -136.65 167.34 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 N-CA-C 108.203 -1.036 . . . . 50.0 108.203 -175.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.0 t -101.69 127.62 48.36 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.066 -0.716 . . . . 50.0 109.066 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.31 168.51 25.64 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.011 -1.09 . . . . 50.0 112.489 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -59.12 -21.18 58.06 Favored 'Trans proline' 0 N--CA 1.489 1.226 0 N-CA-C 116.386 1.649 . . . . 50.0 116.386 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -80.99 -4.31 54.65 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-O 118.831 -0.604 . . . . 50.0 110.805 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.23 22.2 55.1 Favored Glycine 0 N--CA 1.474 1.169 0 CA-C-N 119.421 1.01 . . . . 25.0 110.745 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -129.83 144.88 51.53 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.231 -1.025 . . . . 50.0 108.231 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 t -71.14 152.71 43.15 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 123.89 0.876 . . . . 25.0 109.728 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.958 0 N-CA-C 107.353 -2.299 . . . . 50.0 107.353 -179.516 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.238 0.486 0 CA-C-O 120.638 0.256 . . . . 50.0 110.531 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.71 151.66 23.68 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 122.787 0.435 . . . . 25.0 110.206 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.1 p -148.57 162.03 40.48 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.842 -0.799 . . . . 50.0 108.842 175.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.61 -5.41 3.68 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 123.559 0.744 . . . . 50.0 110.182 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 . . . . . 0 C--N 1.324 -0.532 0 N-CA-C 103.725 -2.694 . . . . 25.0 103.725 176.802 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.6 mt . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 106.688 -1.597 . . . . 50.0 106.688 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.73 128.87 38.71 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.978 -1.119 . . . . 25.0 107.978 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.05 -2.74 55.27 Favored Glycine 0 C--N 1.333 0.394 0 N-CA-C 111.178 -0.769 . . . . 50.0 111.178 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.9 m -121.01 155.27 34.69 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 106.945 -1.502 . . . . 50.0 106.945 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.66 167.4 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.933 0.397 . . . . 50.0 110.605 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.4 t -102.06 118.71 37.47 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 108.128 -1.064 . . . . 50.0 108.128 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.67 177.39 51.28 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 115.046 0.779 . . . . 50.0 115.046 -174.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.29 -10.0 25.08 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 N-CA-C 115.347 1.249 . . . . 50.0 115.347 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -93.45 0.66 56.86 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.036 -0.529 . . . . 50.0 110.869 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.9 20.52 75.96 Favored Glycine 0 C--O 1.241 0.535 0 C-N-CA 120.838 -0.696 . . . . 25.0 112.288 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -116.22 145.9 42.76 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 108.881 -0.785 . . . . 50.0 108.881 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.5 t -72.32 148.44 45.35 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.873 0 CA-C-O 117.809 -1.55 . . . . 50.0 110.72 178.85 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 C--O 1.254 1.331 0 N-CA-C 111.624 0.231 . . . . 50.0 111.624 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 p -81.54 156.13 25.39 Favored 'General case' 0 C--O 1.27 2.133 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.414 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 21.0 p -141.49 171.19 14.4 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 125.094 1.497 . . . . 50.0 110.834 173.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.34 -23.96 0.73 Allowed 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 108.296 -1.001 . . . . 50.0 108.296 171.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 105.023 -2.214 . . . . 25.0 105.023 171.56 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 N--CA 1.444 -0.767 0 N-CA-C 108.553 -0.906 . . . . 50.0 108.553 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.05 128.28 36.03 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 107.521 -1.289 . . . . 25.0 107.521 175.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.03 -10.26 58.41 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 124.134 0.896 . . . . 50.0 114.136 -172.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.7 m -111.23 160.62 16.81 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 104.617 -2.364 . . . . 50.0 104.617 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.4 m -129.54 174.29 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 109.574 -0.528 . . . . 50.0 109.574 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.5 t -121.65 122.68 40.14 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 118.635 -0.698 . . . . 50.0 109.246 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -108.73 179.0 21.19 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 122.95 1.306 . . . . 50.0 115.796 -174.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -62.37 -15.07 42.69 Favored 'Trans proline' 0 C--O 1.201 -1.354 0 N-CA-C 116.669 1.757 . . . . 50.0 116.669 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -80.85 -4.62 55.41 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-N 119.22 0.918 . . . . 50.0 108.853 177.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.02 18.69 76.34 Favored Glycine 0 C--O 1.25 1.116 0 CA-C-O 122.301 0.945 . . . . 25.0 111.56 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -123.69 143.15 50.45 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 109.006 -0.738 . . . . 50.0 109.006 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 21.7 m -67.21 143.96 56.24 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 105.785 -1.931 . . . . 25.0 105.785 175.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.218 0 CA-C-O 118.378 -1.235 . . . . 50.0 110.164 -176.45 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.429 ' H ' HD21 ' A' ' 12' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.26 1.618 0 N-CA-C 108.856 -0.794 . . . . 50.0 108.856 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 p -76.77 154.46 33.99 Favored 'General case' 0 C--O 1.272 2.288 0 O-C-N 121.92 -0.488 . . . . 25.0 110.416 175.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.3 p -150.63 161.61 42.25 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 124.561 1.163 . . . . 50.0 109.077 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.32 -20.39 3.01 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.134 -0.691 . . . . 50.0 109.134 173.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 . . . . . 0 CA--C 1.555 1.139 0 N-CA-C 103.485 -2.783 . . . . 25.0 103.485 171.628 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.437 -1.11 0 CA-C-O 122.542 1.163 . . . . 50.0 108.065 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 137.57 57.89 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 121.604 -0.685 . . . . 25.0 109.71 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.1 -5.8 84.35 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-N 115.071 -0.968 . . . . 50.0 114.729 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.4 m -113.41 161.63 17.08 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.181 -1.785 . . . . 50.0 106.181 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -132.67 170.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 109.042 -0.725 . . . . 50.0 109.042 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.9 t -109.37 150.37 28.14 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.41 -0.959 . . . . 50.0 108.41 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.04 170.66 20.09 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.416 -0.897 . . . . 50.0 113.282 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.32 -17.08 38.0 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 N-CA-C 117.14 1.938 . . . . 50.0 117.14 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -70.36 -17.68 63.05 Favored 'General case' 0 C--O 1.261 1.674 0 CA-C-N 118.148 0.431 . . . . 50.0 110.066 175.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.33 17.51 60.53 Favored Glycine 0 N--CA 1.472 1.038 0 CA-C-O 122.868 1.26 . . . . 25.0 111.7 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -133.62 147.68 51.49 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 107.116 -1.438 . . . . 50.0 107.116 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.1 t -70.3 151.45 45.27 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 124.95 1.406 . . . . 25.0 111.62 -175.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.771 0 N-CA-C 109.24 -1.544 . . . . 50.0 109.24 -179.796 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.266 1.97 0 CA-C-O 121.066 0.46 . . . . 50.0 111.898 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -89.86 152.26 21.35 Favored 'General case' 0 C--O 1.272 2.238 0 CA-C-N 115.83 -0.623 . . . . 25.0 111.278 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.3 p -149.05 165.48 31.57 Favored 'General case' 0 C--O 1.258 1.539 0 O-C-N 124.255 0.972 . . . . 50.0 109.889 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.49 -5.57 3.73 Favored 'General case' 0 C--O 1.256 1.399 0 CA-C-O 120.759 0.314 . . . . 50.0 111.077 174.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 . . . . . 0 CA--C 1.561 1.368 0 N-CA-C 105.635 -1.987 . . . . 25.0 105.635 174.408 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--O 1.216 -0.693 0 CA-C-O 122.534 1.159 . . . . 50.0 108.537 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.45 140.28 56.34 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.54 -3.5 85.16 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-O 118.867 -0.963 . . . . 50.0 114.658 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m -118.17 158.44 25.09 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 106.958 -1.497 . . . . 50.0 106.958 -177.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -133.44 172.24 16.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 106.366 -1.716 . . . . 50.0 106.366 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.9 t -110.73 133.06 53.67 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.854 -0.795 . . . . 50.0 108.854 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.9 175.65 24.27 Favored Glycine 0 N--CA 1.432 -1.579 0 N-CA-C 115.712 1.045 . . . . 50.0 115.712 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.89 -16.63 50.66 Favored 'Trans proline' 0 C--O 1.199 -1.468 0 N-CA-C 117.358 2.022 . . . . 50.0 117.358 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -85.71 -2.09 57.85 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-O 118.842 -0.599 . . . . 50.0 110.173 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.33 19.41 71.82 Favored Glycine 0 N--CA 1.472 1.077 0 CA-C-N 119.284 0.947 . . . . 25.0 111.883 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -123.77 149.37 45.71 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 106.45 -1.685 . . . . 50.0 106.45 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.8 t -70.95 148.37 47.76 Favored 'General case' 0 CA--C 1.519 -0.25 0 O-C-N 124.584 1.177 . . . . 25.0 109.211 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.172 0 CA-C-O 118.086 -1.397 . . . . 50.0 110.276 178.633 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.471 ' H ' HD22 ' A' ' 12' ' ' LEU . 1.3 pt? . . . . . 0 C--O 1.254 1.317 0 N-CA-C 109.431 -0.581 . . . . 50.0 109.431 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.95 157.84 29.56 Favored 'General case' 0 C--O 1.272 2.245 0 O-C-N 122.257 -0.277 . . . . 25.0 111.674 174.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 30.8 p -142.51 164.92 28.81 Favored 'General case' 0 C--O 1.251 1.174 0 O-C-N 124.37 1.044 . . . . 50.0 112.079 173.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -140.71 -9.26 1.06 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 107.96 -1.126 . . . . 50.0 107.96 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 . . . . . 0 CA--C 1.553 1.094 0 N-CA-C 106.177 -1.786 . . . . 25.0 106.177 169.895 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.9 mt . . . . . 0 N--CA 1.443 -0.783 0 N-CA-C 107.295 -1.372 . . . . 50.0 107.295 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.97 134.34 31.96 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 108.171 -1.048 . . . . 25.0 108.171 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.7 -14.66 60.34 Favored Glycine 0 C--N 1.341 0.813 0 N-CA-C 115.659 1.024 . . . . 50.0 115.659 -174.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 m -119.37 149.82 41.19 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 106.278 -1.749 . . . . 50.0 106.278 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.9 m -125.69 168.48 18.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 108.049 -1.093 . . . . 50.0 108.049 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.7 t -93.18 119.55 32.5 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 120.697 -0.401 . . . . 50.0 110.968 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.07 179.03 40.82 Favored Glycine 0 C--O 1.247 0.955 0 CA-C-O 122.875 1.264 . . . . 50.0 115.703 -174.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -75.26 -12.48 21.02 Favored 'Trans proline' 0 N--CA 1.502 1.993 0 N-CA-C 114.994 1.113 . . . . 50.0 114.994 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -82.98 -5.58 59.14 Favored 'General case' 0 C--O 1.255 1.348 0 N-CA-C 109.193 -0.669 . . . . 50.0 109.193 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.28 19.25 59.16 Favored Glycine 0 N--CA 1.468 0.828 0 CA-C-O 122.021 0.789 . . . . 25.0 111.428 -177.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -127.59 144.74 51.04 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.299 0.639 . . . . 50.0 109.999 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 16.0 m -69.71 143.16 53.17 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 107.138 -1.43 . . . . 25.0 107.138 177.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.869 0 N-CA-C 110.327 -1.109 . . . . 50.0 110.327 -175.192 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--O 1.245 0.841 0 N-CA-C 110.356 -0.238 . . . . 50.0 110.356 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.31 147.41 29.9 Favored 'General case' 0 C--O 1.271 2.233 0 N-CA-C 113.0 0.741 . . . . 25.0 113.0 -177.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.2 p -144.3 171.68 13.98 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 124.349 1.031 . . . . 50.0 109.539 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.27 -16.61 1.21 Allowed 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 109.339 -0.615 . . . . 50.0 109.339 172.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 . . . . . 0 CA--C 1.56 1.338 0 N-CA-C 104.036 -2.579 . . . . 25.0 104.036 171.199 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 108.074 -1.084 . . . . 50.0 108.074 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.31 134.83 55.45 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 106.597 -1.631 . . . . 25.0 106.597 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.78 -11.88 69.27 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-N 116.07 -0.514 . . . . 50.0 114.314 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.415 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 81.8 m -93.24 168.22 11.23 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 106.842 -1.54 . . . . 50.0 106.842 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 m -131.8 171.15 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 108.814 -0.81 . . . . 50.0 108.814 174.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.2 t -114.9 120.73 40.95 Favored 'General case' 0 CA--C 1.558 1.278 0 N-CA-C 106.0 -1.852 . . . . 50.0 106.0 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.87 177.73 33.04 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-O 123.476 1.598 . . . . 50.0 115.889 -172.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.05 -14.26 42.41 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 N-CA-C 115.916 1.468 . . . . 50.0 115.916 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -83.04 -6.62 59.56 Favored 'General case' 0 C--O 1.259 1.562 0 O-C-N 123.556 0.535 . . . . 50.0 110.128 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.12 22.11 66.31 Favored Glycine 0 N--CA 1.472 1.05 0 N-CA-C 110.546 -1.021 . . . . 25.0 110.546 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -127.39 145.71 50.72 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 106.788 -1.56 . . . . 50.0 106.788 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 49.2 t -68.99 141.19 54.98 Favored 'General case' 0 C--O 1.209 -1.04 0 C-N-CA 124.851 1.26 . . . . 25.0 108.8 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.74 0 CA-C-O 117.942 -1.477 . . . . 50.0 109.45 174.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.27 2.159 0 CA-C-O 119.819 -0.134 . . . . 50.0 110.949 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.7 p -80.94 149.72 29.28 Favored 'General case' 0 C--O 1.278 2.604 0 O-C-N 121.843 -0.536 . . . . 25.0 111.171 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -148.57 173.05 13.56 Favored 'General case' 0 C--O 1.255 1.394 0 O-C-N 123.92 0.762 . . . . 50.0 109.487 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.58 -21.22 0.74 Allowed 'General case' 0 C--O 1.242 0.661 0 N-CA-C 109.235 -0.654 . . . . 50.0 109.235 170.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 . . . . . 0 CA--C 1.546 0.811 0 N-CA-C 106.142 -1.799 . . . . 25.0 106.142 172.759 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.44 -0.97 0 N-CA-C 106.177 -1.786 . . . . 50.0 106.177 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.36 143.38 53.19 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 106.694 -1.595 . . . . 25.0 106.694 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.57 -1.75 87.24 Favored Glycine 0 N--CA 1.472 1.095 0 N-CA-C 115.731 1.052 . . . . 50.0 115.731 -175.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.0 m -121.21 161.57 21.67 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.365 -0.976 . . . . 50.0 108.365 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.9 m -132.36 167.13 27.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 N-CA-C 109.548 -0.538 . . . . 50.0 109.548 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.1 t -99.79 129.02 45.86 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-O 118.67 -0.681 . . . . 50.0 111.156 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.58 176.86 35.55 Favored Glycine 0 CA--C 1.537 1.426 0 CA-C-O 123.1 1.389 . . . . 50.0 114.938 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.81 -12.65 26.53 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 N-CA-C 115.139 1.169 . . . . 50.0 115.139 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -89.85 1.44 56.18 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 121.847 -0.533 . . . . 50.0 110.451 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.26 21.64 64.55 Favored Glycine 0 N--CA 1.472 1.048 0 C-N-CA 119.864 -1.16 . . . . 25.0 111.416 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -129.52 147.58 51.34 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 106.637 -1.616 . . . . 50.0 106.637 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.57 155.35 40.15 Favored 'General case' 0 CA--C 1.518 -0.279 0 O-C-N 124.945 1.403 . . . . 25.0 110.447 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.433 0 N-CA-C 108.826 -1.71 . . . . 50.0 108.826 -177.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.261 1.71 0 N-CA-C 108.152 -1.055 . . . . 50.0 108.152 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 p -82.55 155.95 24.24 Favored 'General case' 0 C--O 1.274 2.394 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -150.97 169.66 21.22 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.506 1.129 . . . . 50.0 108.442 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 t -141.33 -18.49 0.79 Allowed 'General case' 0 C--N 1.347 0.471 0 N-CA-C 108.635 -0.876 . . . . 50.0 108.635 171.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 . . . . . 0 CA--C 1.564 1.486 0 N-CA-C 103.086 -2.931 . . . . 25.0 103.086 169.001 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 CA--C 1.535 0.376 0 CA-C-O 122.443 1.116 . . . . 50.0 109.49 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.67 121.6 12.65 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.69 -10.92 35.32 Favored Glycine 0 C--N 1.347 1.168 0 N-CA-C 115.509 0.964 . . . . 50.0 115.509 -173.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.49 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 78.8 m -101.24 164.41 11.8 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 107.863 -1.162 . . . . 50.0 107.863 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -127.21 170.21 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 108.772 -0.825 . . . . 50.0 108.772 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.4 t -111.55 124.6 52.62 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.202 -0.666 . . . . 50.0 109.202 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.74 177.14 38.55 Favored Glycine 0 C--O 1.248 0.997 0 CA-C-O 123.201 1.445 . . . . 50.0 116.131 -174.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.38 -9.41 23.01 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 N-CA-C 114.83 1.05 . . . . 50.0 114.83 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -88.87 -1.98 58.36 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 108.264 -1.013 . . . . 50.0 108.264 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.89 17.97 68.83 Favored Glycine 0 N--CA 1.472 1.067 0 CA-C-N 119.215 0.916 . . . . 25.0 111.795 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -123.27 145.77 48.41 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 107.507 -1.294 . . . . 50.0 107.507 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 43.7 t -65.83 148.14 52.25 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 125.212 1.57 . . . . 25.0 108.705 177.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.832 0 CA-C-O 117.961 -1.466 . . . . 50.0 110.313 -177.912 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.252 1.223 0 N-CA-C 107.453 -1.314 . . . . 50.0 107.453 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -82.52 157.05 23.7 Favored 'General case' 0 C--O 1.272 2.243 0 O-C-N 121.995 -0.441 . . . . 25.0 111.261 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.6 p -150.43 165.97 31.55 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 124.609 1.193 . . . . 50.0 109.854 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.35 -13.36 3.9 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.422 0.451 . . . . 50.0 110.242 176.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 . . . . . 0 CA--C 1.551 1.011 0 N-CA-C 105.774 -1.936 . . . . 25.0 105.774 173.301 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 122.368 1.08 . . . . 50.0 108.226 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.84 135.35 57.28 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 106.251 -1.759 . . . . 25.0 106.251 173.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.17 -9.08 69.99 Favored Glycine 0 C--N 1.351 1.363 0 N-CA-C 114.582 0.593 . . . . 50.0 114.582 -174.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.3 m -117.64 158.24 24.99 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 107.443 -1.318 . . . . 50.0 107.443 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.1 m -130.55 166.88 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 108.328 -0.99 . . . . 50.0 108.328 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.1 t -102.35 134.56 45.45 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.535 -1.283 . . . . 50.0 107.535 175.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -103.15 172.65 21.66 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 119.948 -1.12 . . . . 50.0 114.383 -175.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -62.5 -19.86 68.89 Favored 'Trans proline' 0 N--CA 1.49 1.315 0 C-N-CA 120.647 0.898 . . . . 50.0 113.533 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -72.42 -14.17 61.63 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 123.83 0.706 . . . . 50.0 110.594 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.83 12.94 76.3 Favored Glycine 0 C--O 1.247 0.939 0 CA-C-O 122.375 0.986 . . . . 25.0 111.102 -176.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -122.44 147.87 45.8 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 107.077 -1.453 . . . . 50.0 107.077 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.7 t -73.54 149.53 42.13 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 125.348 1.655 . . . . 25.0 109.792 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.079 -1.401 . . . . 50.0 111.878 -177.4 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.253 1.244 0 N-CA-C 107.66 -1.237 . . . . 50.0 107.66 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 p -86.18 150.58 24.3 Favored 'General case' 0 C--O 1.262 1.729 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.2 p -147.07 166.57 26.5 Favored 'General case' 0 C--O 1.25 1.085 0 O-C-N 125.062 1.476 . . . . 50.0 110.005 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.63 -9.33 2.45 Favored 'General case' 0 C--O 1.252 1.221 0 N-CA-C 109.257 -0.646 . . . . 50.0 109.257 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 105.327 -2.101 . . . . 25.0 105.327 175.117 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--O 1.208 -1.092 0 CA-C-O 122.142 0.972 . . . . 50.0 108.612 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.68 131.98 50.77 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 106.126 -1.805 . . . . 25.0 106.126 173.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.89 -8.56 65.57 Favored Glycine 0 N--CA 1.476 1.337 0 C-N-CA 120.549 -0.834 . . . . 50.0 115.053 -172.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.7 m -118.47 151.8 37.13 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 103.534 -2.765 . . . . 50.0 103.534 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.13 161.32 41.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 N-CA-C 109.412 -0.588 . . . . 50.0 109.412 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.8 t -103.22 125.5 49.92 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.98 -0.748 . . . . 50.0 108.98 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.12 178.73 26.99 Favored Glycine 0 N--CA 1.432 -1.586 0 CA-C-O 122.967 1.315 . . . . 50.0 116.301 -174.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -64.6 -15.94 52.63 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.789 2.326 . . . . 50.0 116.158 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -87.17 -1.63 58.03 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 108.849 -0.797 . . . . 50.0 108.849 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.79 15.71 78.76 Favored Glycine 0 N--CA 1.467 0.72 0 N-CA-C 110.526 -1.03 . . . . 25.0 110.526 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -121.25 149.79 42.34 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 107.242 -1.392 . . . . 50.0 107.242 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 t -78.23 150.57 33.43 Favored 'General case' 0 C--O 1.221 -0.433 0 O-C-N 124.83 1.332 . . . . 25.0 108.947 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.143 -1.365 . . . . 50.0 111.422 -179.594 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.079 0.466 . . . . 50.0 110.806 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 p -80.98 149.05 29.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.743 -0.662 . . . . 25.0 109.553 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.2 p -150.92 168.32 24.88 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.518 -1.29 . . . . 50.0 107.518 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.17 -27.55 1.59 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.356 -0.979 . . . . 50.0 108.356 176.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 . . . . . 0 C--N 1.326 -0.437 0 N-CA-C 106.092 -1.818 . . . . 25.0 106.092 173.457 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 107.118 -1.438 . . . . 50.0 107.118 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.89 133.91 56.56 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.86 1.15 60.02 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.979 -0.629 . . . . 50.0 112.042 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.3 m -121.98 163.23 19.69 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.823 -1.547 . . . . 50.0 106.823 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.3 m -133.34 164.59 34.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.237 -0.653 . . . . 50.0 109.237 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 38.4 t -94.39 127.33 40.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.397 -0.964 . . . . 50.0 108.397 175.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.1 169.31 33.3 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 121.312 -0.471 . . . . 50.0 112.788 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.38 -16.54 42.1 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.443 2.762 . . . . 50.0 115.551 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -87.08 0.28 55.5 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.935 -0.478 . . . . 50.0 111.664 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.57 20.14 69.51 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.78 -0.928 . . . . 25.0 110.78 -177.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -128.03 147.94 50.53 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.248 -0.649 . . . . 50.0 109.248 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.2 t -75.93 158.32 32.15 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.284 -0.416 . . . . 25.0 111.444 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 111.499 -0.64 . . . . 50.0 111.499 176.545 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--O 1.247 0.966 0 N-CA-C 110.311 -0.255 . . . . 50.0 110.311 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.0 p -84.81 158.32 20.71 Favored 'General case' 0 C--O 1.268 2.028 0 CA-C-O 119.225 -0.417 . . . . 25.0 111.154 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.6 p -152.92 167.03 30.48 Favored 'General case' 0 C--O 1.247 0.943 0 O-C-N 124.6 1.188 . . . . 50.0 110.573 175.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.75 -13.11 2.58 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 109.877 -0.416 . . . . 50.0 109.877 173.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 . . . . . 0 C--N 1.316 -0.879 0 N-CA-C 105.906 -1.887 . . . . 25.0 105.906 175.524 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 C--O 1.212 -0.883 0 N-CA-C 108.354 -0.98 . . . . 50.0 108.354 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 126.57 27.85 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 105.947 -1.872 . . . . 25.0 105.947 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.86 -4.6 53.15 Favored Glycine 0 N--CA 1.472 1.058 0 N-CA-C 115.056 0.783 . . . . 50.0 115.056 -174.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.5 m -121.96 159.32 27.18 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 102.996 -2.965 . . . . 50.0 102.996 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.41 167.62 24.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 118.685 0.675 . . . . 50.0 109.818 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.8 t -102.75 125.0 49.32 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 117.887 0.312 . . . . 50.0 111.228 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -95.37 -179.82 36.54 Favored Glycine 0 CA--C 1.537 1.453 0 CA-C-O 123.041 1.356 . . . . 50.0 114.258 -176.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -75.34 -6.76 18.21 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 N-CA-C 115.741 1.4 . . . . 50.0 115.741 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -88.12 -4.55 58.74 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.508 -0.923 . . . . 50.0 108.508 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.8 21.15 69.28 Favored Glycine 0 N--CA 1.471 0.984 0 O-C-N 121.025 -1.047 . . . . 25.0 110.57 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -127.42 146.12 50.59 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 107.2 -1.407 . . . . 50.0 107.2 176.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.6 t -72.68 148.68 44.5 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 124.15 0.906 . . . . 25.0 108.737 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.867 0 N-CA-C 109.15 -1.58 . . . . 50.0 109.15 -177.09 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.327 0 CA-C-O 119.727 -0.178 . . . . 50.0 110.833 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.5 p -78.87 151.49 31.77 Favored 'General case' 0 C--O 1.27 2.141 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.7 p -150.69 170.25 19.64 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 123.879 0.737 . . . . 50.0 110.452 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.6 -15.39 1.61 Allowed 'General case' 0 C--O 1.241 0.616 0 N-CA-C 110.176 -0.305 . . . . 50.0 110.176 170.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 . . . . . 0 CA--C 1.558 1.257 0 N-CA-C 102.729 -3.063 . . . . 25.0 102.729 172.724 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--O 1.215 -0.733 0 N-CA-C 107.202 -1.407 . . . . 50.0 107.202 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.65 130.77 46.48 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 105.965 -1.865 . . . . 25.0 105.965 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.53 -14.5 65.15 Favored Glycine 0 C--N 1.35 1.337 0 N-CA-C 115.818 1.087 . . . . 50.0 115.818 -176.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.416 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 33.3 m -87.13 166.19 15.17 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 105.289 -2.115 . . . . 50.0 105.289 176.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.13 174.03 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 120.368 -0.533 . . . . 50.0 110.2 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.4 t -121.31 118.29 29.14 Favored 'General case' 0 N--CA 1.44 -0.971 0 N-CA-C 109.324 -0.621 . . . . 50.0 109.324 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.24 177.3 42.6 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 123.031 1.351 . . . . 50.0 113.085 -176.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.09 -13.89 26.02 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 N-CA-C 114.746 1.018 . . . . 50.0 114.746 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -76.67 -3.95 40.63 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 109.504 -0.554 . . . . 50.0 109.504 176.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.97 19.25 70.5 Favored Glycine 0 N--CA 1.473 1.147 0 O-C-N 120.842 -1.161 . . . . 25.0 112.305 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -127.09 145.91 50.56 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.538 -0.912 . . . . 50.0 108.538 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 37.2 t -70.27 143.44 52.1 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 114.238 -1.346 . . . . 25.0 110.862 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.667 -1.074 . . . . 50.0 111.13 177.709 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.255 1.392 0 CA-C-O 120.205 0.05 . . . . 50.0 111.027 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.5 p -78.88 158.25 28.13 Favored 'General case' 0 C--O 1.272 2.251 0 N-CA-C 112.125 0.417 . . . . 25.0 112.125 -177.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 p -150.28 163.4 38.4 Favored 'General case' 0 C--O 1.253 1.273 0 O-C-N 124.752 1.282 . . . . 50.0 111.152 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.14 -21.45 1.62 Allowed 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 107.053 -1.462 . . . . 50.0 107.053 177.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 . . . . . 0 CA--C 1.562 1.428 0 N-CA-C 105.553 -2.017 . . . . 25.0 105.553 171.109 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--O 1.211 -0.954 0 N-CA-C 106.325 -1.732 . . . . 50.0 106.325 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.74 129.15 38.96 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 105.049 -2.204 . . . . 25.0 105.049 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.19 -8.22 62.65 Favored Glycine 0 N--CA 1.472 1.085 0 O-C-N 124.307 1.005 . . . . 50.0 114.492 -173.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.1 m -114.33 154.15 28.54 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 103.041 -2.948 . . . . 50.0 103.041 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 m -133.89 164.9 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 CA-C-N 118.738 0.699 . . . . 50.0 111.159 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.9 t -101.69 113.84 27.36 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-N 116.307 -0.406 . . . . 50.0 111.74 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.33 177.38 42.5 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-O 123.186 1.437 . . . . 50.0 116.626 -172.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -63.1 -17.61 60.99 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 N-CA-C 116.923 1.855 . . . . 50.0 116.923 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -82.59 -7.27 59.65 Favored 'General case' 0 C--O 1.251 1.176 0 N-CA-C 108.781 -0.822 . . . . 50.0 108.781 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.92 17.84 64.54 Favored Glycine 0 N--CA 1.471 0.967 0 CA-C-O 122.749 1.194 . . . . 25.0 112.159 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -126.61 147.33 49.91 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 107.774 -1.195 . . . . 50.0 107.774 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 t -74.3 148.69 41.18 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 114.161 -1.381 . . . . 25.0 109.598 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.336 0 N-CA-C 110.732 -0.947 . . . . 50.0 110.732 -179.55 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.263 1.77 0 CA-C-O 121.237 0.541 . . . . 50.0 112.314 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.7 p -93.51 164.0 13.35 Favored 'General case' 0 C--O 1.258 1.52 0 N-CA-C 112.932 0.715 . . . . 25.0 112.932 -177.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.7 p -154.23 159.27 41.25 Favored 'General case' 0 C--O 1.26 1.635 0 N-CA-C 108.883 -0.784 . . . . 50.0 108.883 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.34 -12.4 7.32 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 121.243 0.544 . . . . 50.0 109.58 176.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 . . . . . 0 CA--C 1.558 1.263 0 N-CA-C 105.274 -2.121 . . . . 25.0 105.274 174.242 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 C--O 1.209 -1.058 0 N-CA-C 107.765 -1.198 . . . . 50.0 107.765 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.87 124.49 20.33 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 121.291 -0.881 . . . . 25.0 109.036 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.8 -10.27 66.28 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 116.407 1.323 . . . . 50.0 116.407 -175.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -104.98 159.55 15.72 Favored 'General case' 0 CA--C 1.499 -1.007 0 N-CA-C 107.157 -1.423 . . . . 50.0 107.157 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.6 m -129.51 166.68 26.48 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 108.328 -0.99 . . . . 50.0 108.328 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.2 t -94.84 132.39 39.69 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-O 119.042 -0.504 . . . . 50.0 110.475 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.92 174.1 29.89 Favored Glycine 0 C--O 1.253 1.343 0 CA-C-O 122.89 1.272 . . . . 50.0 114.611 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -76.34 -10.33 19.05 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 N-CA-C 115.23 1.204 . . . . 50.0 115.23 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -90.36 0.9 57.06 Favored 'General case' 0 C--O 1.25 1.128 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 176.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.45 11.06 75.87 Favored Glycine 0 C--O 1.249 1.044 0 CA-C-O 122.519 1.066 . . . . 25.0 113.149 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -115.2 149.68 37.31 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.41 -1.33 . . . . 50.0 107.41 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.0 t -74.49 152.13 39.44 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 107.55 -1.278 . . . . 25.0 107.55 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.886 0 N-CA-C 110.269 -1.133 . . . . 50.0 110.269 -176.897 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 N--CA 1.464 0.234 0 N-CA-C 109.059 -0.719 . . . . 50.0 109.059 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.1 p -77.97 153.68 32.25 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.415 -0.957 . . . . 25.0 108.415 174.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 p -156.09 165.5 36.25 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.385 -0.969 . . . . 50.0 108.385 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.24 -17.38 3.03 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.829 -0.623 . . . . 50.0 109.544 174.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 . . . . . 0 C--N 1.325 -0.494 0 N-CA-C 104.845 -2.28 . . . . 25.0 104.845 175.334 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 CA--C 1.52 -0.208 0 N-CA-C 108.054 -1.091 . . . . 50.0 108.054 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.86 133.37 54.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.18 -15.45 30.52 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 110.442 -1.063 . . . . 50.0 110.442 -175.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 m -113.84 164.99 13.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.988 -1.116 . . . . 50.0 107.988 175.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -136.09 167.67 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 107.635 -1.246 . . . . 50.0 107.635 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.0 t -100.5 130.0 46.52 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.98 -0.748 . . . . 50.0 108.98 175.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -97.46 169.07 24.5 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.876 -0.678 . . . . 50.0 112.956 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -60.16 -16.49 40.4 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 124.173 3.249 . . . . 50.0 115.58 -177.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -84.45 -1.51 55.76 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.574 -0.285 . . . . 50.0 111.717 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.19 19.05 70.38 Favored Glycine 0 N--CA 1.459 0.217 0 N-CA-C 110.457 -1.057 . . . . 25.0 110.457 -176.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -128.6 149.14 50.77 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.709 -0.849 . . . . 50.0 108.709 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 t -72.24 162.34 29.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.807 -1.088 . . . . 25.0 111.056 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 CA-C-O 117.784 -1.564 . . . . 50.0 109.806 177.665 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 109.013 -0.736 . . . . 50.0 109.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -81.08 152.93 27.61 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.786 -0.188 . . . . 25.0 111.217 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 p -154.96 170.37 21.89 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-O 122.444 1.116 . . . . 50.0 108.947 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -138.05 -28.62 0.86 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.358 -1.292 . . . . 50.0 108.645 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 106.67 -1.604 . . . . 25.0 106.67 173.171 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 108.736 -0.838 . . . . 50.0 108.736 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 129.97 43.42 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.06 1.45 59.63 Favored Glycine 0 CA--C 1.518 0.22 0 CA-C-N 115.122 -0.945 . . . . 50.0 113.389 -176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 62.8 m -118.08 162.32 18.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 105.367 -2.086 . . . . 50.0 105.367 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.62 164.58 34.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 C-N-CA 123.179 0.591 . . . . 50.0 111.19 -176.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.8 t -105.09 119.58 39.38 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.529 -0.915 . . . . 75.0 108.529 174.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -89.84 171.37 37.51 Favored Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 115.465 0.946 . . . . 50.0 115.465 -176.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -61.66 -14.87 38.38 Favored 'Trans proline' 0 C--O 1.215 -0.666 0 C-N-CA 122.862 2.375 . . . . 50.0 114.559 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -85.58 -3.96 59.02 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.099 -0.5 . . . . 50.0 111.372 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.47 20.55 71.56 Favored Glycine 0 C--N 1.32 -0.32 0 N-CA-C 110.62 -0.992 . . . . 25.0 110.62 -175.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -128.03 145.9 50.84 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.253 -0.647 . . . . 50.0 109.253 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.2 t -76.66 155.08 33.68 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.124 -1.398 . . . . 25.0 109.894 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.681 0 CA-C-O 118.006 -1.441 . . . . 50.0 109.709 176.337 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 CA--C 1.519 -0.221 0 N-CA-C 108.72 -0.845 . . . . 50.0 108.72 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.3 p -80.71 156.77 26.11 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.939 -0.393 . . . . 25.0 109.939 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.1 p -155.28 164.32 38.94 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.267 -1.383 . . . . 50.0 107.267 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.85 -15.44 3.03 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.702 -0.851 . . . . 50.0 108.702 174.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 105.032 -2.21 . . . . 25.0 105.032 174.686 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.6 mt . . . . . 0 C--O 1.223 -0.311 0 N-CA-C 109.135 -0.691 . . . . 50.0 109.135 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.45 130.17 45.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 174.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.89 -30.32 8.83 Favored Glycine 0 C--O 1.23 -0.11 0 N-CA-C 110.772 -0.931 . . . . 50.0 110.772 -176.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m -71.78 161.76 30.47 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 106.917 -1.512 . . . . 50.0 106.917 173.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.8 151.21 34.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 107.152 -1.425 . . . . 50.0 107.152 173.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.9 t -94.64 124.13 38.5 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.125 -1.435 . . . . 50.0 107.125 176.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.88 166.37 31.21 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.728 -0.749 . . . . 50.0 113.424 -175.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -61.41 -15.47 41.02 Favored 'Trans proline' 0 C--O 1.22 -0.391 0 C-N-CA 123.682 2.922 . . . . 50.0 115.333 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -85.55 0.8 51.42 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 111.817 0.302 . . . . 50.0 111.817 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.33 20.05 70.35 Favored Glycine 0 C--O 1.225 -0.415 0 C-N-CA 120.74 -0.743 . . . . 25.0 111.479 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -128.83 145.24 51.25 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.366 -0.605 . . . . 50.0 109.366 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 t -87.1 154.99 20.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.464 -0.789 . . . . 25.0 110.952 -175.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.146 0 CA-C-O 119.594 -0.559 . . . . 50.0 113.655 178.328 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.841 0 N-CA-C 110.853 -0.899 . . . . 50.0 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.0 m -69.93 161.29 76.12 Favored Pre-proline 0 C--O 1.252 1.214 0 CA-C-N 118.725 1.262 . . . . 50.0 113.126 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -72.58 117.9 5.34 Favored 'Trans proline' 0 C--O 1.216 -0.604 0 C-N-CA 114.055 -3.497 . . . . 50.0 114.938 -176.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 23.98 76.59 0.24 Allowed Pre-proline 0 CA--C 1.581 2.151 0 C-N-CA 125.583 1.553 . . . . 50.0 115.099 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.1 170.51 18.63 Favored 'Trans proline' 0 CA--C 1.551 1.337 0 C-N-CA 116.356 -1.963 . . . . 50.0 112.009 177.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -145.96 154.31 41.77 Favored 'General case' 0 CA--C 1.491 -1.299 0 N-CA-C 105.698 -1.964 . . . . 50.0 105.698 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.42 11.61 60.76 Favored Glycine 0 C--O 1.208 -1.481 0 O-C-N 125.218 1.574 . . . . 50.0 111.231 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -85.68 -5.35 59.27 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -125.3 146.05 52.84 Favored Pre-proline 0 C--O 1.248 1.01 0 CA-C-N 115.556 -0.747 . . . . 50.0 110.334 -177.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.98 157.1 51.68 Favored 'Trans proline' 0 C--O 1.218 -0.491 0 C-N-CA 120.982 1.122 . . . . 50.0 112.322 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -70.38 153.19 66.28 Favored 'Trans proline' 0 CA--C 1.503 -1.045 0 C-N-CA 113.862 -3.625 . . . . 50.0 111.468 172.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.47 150.54 20.5 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 121.453 -0.779 . . . . 50.0 110.3 175.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.6 p -80.21 160.15 25.71 Favored 'General case' 0 C--O 1.27 2.149 0 N-CA-C 113.237 0.828 . . . . 25.0 113.237 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.2 p -151.72 173.19 15.01 Favored 'General case' 0 C--O 1.251 1.137 0 O-C-N 124.711 1.257 . . . . 50.0 108.238 172.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.63 -21.64 0.9 Allowed 'General case' 0 C--O 1.244 0.799 0 C-N-CA 123.089 0.555 . . . . 50.0 109.939 170.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -133.44 166.77 21.77 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 174.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.26 -29.98 71.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.347 -0.842 . . . . 50.0 112.812 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -10.38 59.71 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.099 0.778 . . . . 50.0 113.099 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -73.77 -16.89 61.15 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.668 0.667 . . . . 50.0 110.837 -177.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.9 m -107.12 177.81 4.74 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 114.869 1.433 . . . . 50.0 114.869 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.24 160.43 27.93 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 107.342 -1.355 . . . . 50.0 107.342 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.97 141.46 49.58 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 174.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.56 -20.58 47.64 Favored Glycine 0 C--N 1.346 1.108 0 N-CA-C 114.758 0.663 . . . . 50.0 114.758 -174.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.4 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 75.2 m -98.64 160.58 14.18 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 106.482 -1.673 . . . . 50.0 106.482 -177.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.1 m -133.66 168.62 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 107.763 -1.199 . . . . 50.0 107.763 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.3 t -109.56 122.92 48.52 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 120.906 -0.317 . . . . 50.0 111.214 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.86 179.91 38.56 Favored Glycine 0 CA--C 1.533 1.169 0 N-CA-C 116.681 1.432 . . . . 50.0 116.681 -173.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.62 -14.89 22.0 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 N-CA-C 116.115 1.544 . . . . 50.0 116.115 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -87.82 -0.15 56.57 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 118.453 0.569 . . . . 50.0 109.642 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.9 19.25 68.03 Favored Glycine 0 N--CA 1.469 0.842 0 CA-C-O 122.032 0.796 . . . . 25.0 111.693 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -120.27 146.12 46.4 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 107.499 -1.297 . . . . 50.0 107.499 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 7.0 t -76.79 148.7 36.46 Favored 'General case' 0 C--O 1.208 -1.093 0 O-C-N 124.724 1.265 . . . . 25.0 109.597 178.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.849 0 N-CA-C 110.19 -1.164 . . . . 50.0 110.19 -177.49 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.43 0 N-CA-C 110.978 -0.849 . . . . 50.0 110.978 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 92.0 m -81.3 148.94 64.54 Favored Pre-proline 0 C--O 1.261 1.697 0 CA-C-N 118.691 1.245 . . . . 50.0 111.678 -176.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -77.12 157.28 33.96 Favored 'Trans proline' 0 C--O 1.204 -1.208 0 C-N-CA 116.709 -1.727 . . . . 50.0 116.51 -174.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.72 74.61 78.3 Favored Pre-proline 0 C--O 1.246 0.909 0 N-CA-C 107.09 -1.448 . . . . 50.0 107.09 178.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -68.67 -22.72 37.19 Favored 'Trans proline' 0 C--N 1.373 1.822 0 N-CA-C 117.451 2.058 . . . . 50.0 117.451 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -124.8 -51.79 1.69 Allowed 'General case' 0 C--O 1.187 -2.226 0 CA-C-O 121.994 0.902 . . . . 25.0 109.104 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.56 -4.04 83.73 Favored Glycine 0 C--O 1.203 -1.799 0 N-CA-C 109.468 -1.453 . . . . 50.0 109.468 -178.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -110.76 5.67 20.93 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 122.584 1.183 . . . . 25.0 110.8 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -87.86 147.2 40.53 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-O 117.545 -1.217 . . . . 50.0 108.944 -176.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -69.01 162.85 40.01 Favored 'Trans proline' 0 C--O 1.216 -0.621 0 C-N-CA 121.423 1.415 . . . . 50.0 112.06 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.74 154.45 74.45 Favored 'Trans proline' 0 CA--C 1.49 -1.695 0 C-N-CA 114.981 -2.88 . . . . 50.0 112.281 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.64 155.14 20.54 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-N 115.931 -0.577 . . . . 50.0 110.908 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -79.21 156.07 28.33 Favored 'General case' 0 C--O 1.277 2.513 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 p -149.65 170.5 18.55 Favored 'General case' 0 C--O 1.25 1.097 0 O-C-N 125.127 1.517 . . . . 50.0 109.738 171.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.95 -20.91 0.79 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 109.036 -0.727 . . . . 50.0 109.036 174.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -139.08 162.55 34.66 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 104.748 -2.315 . . . . 25.0 104.748 172.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -61.34 -32.26 72.14 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.881 0.696 . . . . 50.0 112.881 175.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 t -68.18 -10.54 55.04 Favored 'General case' 0 CA--C 1.571 1.777 0 C-N-CA 120.109 -0.636 . . . . 50.0 111.207 -177.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -69.89 -24.8 63.45 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 118.819 0.736 . . . . 50.0 110.439 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.2 m -94.97 171.0 9.02 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.057 1.132 . . . . 50.0 114.057 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.81 166.19 15.41 Favored 'General case' 0 C--O 1.201 -1.465 0 CA-C-O 122.01 0.909 . . . . 50.0 108.559 -176.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.42 133.6 56.24 Favored 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 108.142 -1.059 . . . . 25.0 108.142 174.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.52 -4.75 73.41 Favored Glycine 0 C--N 1.353 1.489 0 CA-C-O 119.619 -0.545 . . . . 50.0 113.452 -174.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.7 m -125.42 155.34 40.57 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 105.849 -1.908 . . . . 50.0 105.849 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -136.65 167.34 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 N-CA-C 108.203 -1.036 . . . . 50.0 108.203 -175.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.0 t -101.69 127.62 48.36 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.066 -0.716 . . . . 50.0 109.066 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.31 168.51 25.64 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.011 -1.09 . . . . 50.0 112.489 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -59.12 -21.18 58.06 Favored 'Trans proline' 0 N--CA 1.489 1.226 0 N-CA-C 116.386 1.649 . . . . 50.0 116.386 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -80.99 -4.31 54.65 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-O 118.831 -0.604 . . . . 50.0 110.805 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.23 22.2 55.1 Favored Glycine 0 N--CA 1.474 1.169 0 CA-C-N 119.421 1.01 . . . . 25.0 110.745 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -129.83 144.88 51.53 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.231 -1.025 . . . . 50.0 108.231 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 t -71.14 152.71 43.15 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 123.89 0.876 . . . . 25.0 109.728 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.958 0 N-CA-C 107.353 -2.299 . . . . 50.0 107.353 -179.516 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.295 0 N-CA-C 111.07 -0.812 . . . . 50.0 111.07 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.15 158.85 85.08 Favored Pre-proline 0 CA--C 1.543 0.674 0 N-CA-C 113.367 0.876 . . . . 50.0 113.367 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -72.38 167.11 27.84 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 117.546 -1.169 . . . . 50.0 113.208 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -70.34 150.66 95.83 Favored Pre-proline 0 CA--C 1.511 -0.529 0 CA-C-N 116.374 -0.375 . . . . 50.0 110.622 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -81.15 -172.05 1.4 Allowed 'Trans proline' 0 C--O 1.211 -0.844 0 O-C-N 122.805 0.898 . . . . 50.0 110.3 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 -56.43 -37.07 69.72 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 114.316 1.228 . . . . 25.0 114.316 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.12 -135.15 2.83 Favored Glycine 0 CA--C 1.506 -0.492 0 N-CA-C 109.149 -1.58 . . . . 50.0 109.149 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -90.32 17.84 6.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.269 0.557 . . . . 25.0 109.681 174.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -56.49 152.16 26.11 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.652 -0.703 . . . . 50.0 112.625 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -68.5 167.08 23.55 Favored 'Trans proline' 0 C--O 1.244 0.784 0 C-N-CA 122.603 2.202 . . . . 50.0 112.812 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -66.35 159.31 50.81 Favored 'Trans proline' 0 C--O 1.243 0.749 0 C-N-CA 118.348 -0.635 . . . . 50.0 111.599 177.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.1 156.97 38.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.77 -0.65 . . . . 50.0 110.531 177.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.71 151.66 23.68 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 122.787 0.435 . . . . 25.0 110.206 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.1 p -148.57 162.03 40.48 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.842 -0.799 . . . . 50.0 108.842 175.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.61 -5.41 3.68 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 123.559 0.744 . . . . 50.0 110.182 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -153.55 163.82 39.3 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 103.725 -2.694 . . . . 25.0 103.725 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -69.58 -28.99 66.44 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.207 -0.664 . . . . 50.0 109.207 -176.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -12.4 50.22 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 115.781 1.771 . . . . 50.0 115.781 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -78.08 -10.51 59.65 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.282 -0.262 . . . . 50.0 110.554 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 78.4 m -102.79 165.85 10.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 122.324 1.059 . . . . 50.0 110.925 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.6 mt -75.66 154.38 36.59 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 106.688 -1.597 . . . . 50.0 106.688 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.73 128.87 38.71 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.978 -1.119 . . . . 25.0 107.978 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.05 -2.74 55.27 Favored Glycine 0 C--N 1.333 0.394 0 N-CA-C 111.178 -0.769 . . . . 50.0 111.178 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.491 ' HB2' ' HB3' ' A' ' 20' ' ' CYS . 25.9 m -121.01 155.27 34.69 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 106.945 -1.502 . . . . 50.0 106.945 175.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.66 167.4 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.933 0.397 . . . . 50.0 110.605 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.4 t -102.06 118.71 37.47 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 108.128 -1.064 . . . . 50.0 108.128 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.67 177.39 51.28 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 115.046 0.779 . . . . 50.0 115.046 -174.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.29 -10.0 25.08 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 N-CA-C 115.347 1.249 . . . . 50.0 115.347 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -93.45 0.66 56.86 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.036 -0.529 . . . . 50.0 110.869 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.9 20.52 75.96 Favored Glycine 0 C--O 1.241 0.535 0 C-N-CA 120.838 -0.696 . . . . 25.0 112.288 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -116.22 145.9 42.76 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 108.881 -0.785 . . . . 50.0 108.881 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.5 t -72.32 148.44 45.35 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.873 0 CA-C-O 117.809 -1.55 . . . . 50.0 110.72 178.85 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.41 -3.035 0 N-CA-C 111.646 -0.582 . . . . 50.0 111.646 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.2 m -79.61 159.61 71.47 Favored Pre-proline 0 C--O 1.257 1.453 0 C-N-CA 124.014 0.926 . . . . 50.0 110.692 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -72.11 153.9 57.26 Favored 'Trans proline' 0 C--O 1.204 -1.19 0 C-N-CA 113.889 -3.608 . . . . 50.0 115.718 -170.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -135.45 76.58 55.36 Favored Pre-proline 0 C--N 1.32 -0.681 0 C-N-CA 123.468 0.707 . . . . 25.0 110.242 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.47 -27.31 48.99 Favored 'Trans proline' 0 C--O 1.202 -1.283 0 N-CA-C 118.698 2.538 . . . . 50.0 118.698 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -124.8 -45.58 1.89 Allowed 'General case' 0 C--O 1.19 -2.057 0 CA-C-O 122.585 1.183 . . . . 50.0 110.845 175.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.07 8.62 81.83 Favored Glycine 0 C--O 1.192 -2.51 0 CA-C-N 115.674 -0.694 . . . . 50.0 111.493 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -107.34 -13.04 15.21 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.698 0.761 . . . . 25.0 110.978 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -95.44 153.83 39.47 Favored Pre-proline 0 C--N 1.321 -0.645 0 O-C-N 121.106 -0.996 . . . . 50.0 109.385 -171.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -63.57 160.93 33.77 Favored 'Trans proline' 0 C--N 1.352 0.732 0 O-C-N 123.022 1.012 . . . . 50.0 112.544 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -64.94 156.29 63.23 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 117.06 -1.493 . . . . 50.0 113.81 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -70.28 159.33 34.26 Favored 'General case' 0 C--O 1.254 1.331 0 CA-C-N 115.618 -0.719 . . . . 50.0 111.624 175.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 p -81.54 156.13 25.39 Favored 'General case' 0 C--O 1.27 2.133 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.414 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 21.0 p -141.49 171.19 14.4 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 125.094 1.497 . . . . 50.0 110.834 173.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.34 -23.96 0.73 Allowed 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 108.296 -1.001 . . . . 50.0 108.296 171.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -135.84 165.53 25.42 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 105.023 -2.214 . . . . 25.0 105.023 171.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -69.96 -24.94 63.42 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-O 119.116 -0.468 . . . . 50.0 111.692 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.95 -13.78 58.27 Favored 'General case' 0 CA--C 1.552 1.051 0 O-C-N 123.691 0.619 . . . . 50.0 112.582 176.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -72.31 -28.62 63.19 Favored 'General case' 0 C--O 1.248 1.015 0 C-N-CA 119.944 -0.702 . . . . 50.0 110.882 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.9 m -93.58 172.32 8.34 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.012 -0.736 . . . . 50.0 109.012 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.5 mt -78.54 162.15 26.51 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.553 -0.906 . . . . 50.0 108.553 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.05 128.28 36.03 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 107.521 -1.289 . . . . 25.0 107.521 175.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.03 -10.26 58.41 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 124.134 0.896 . . . . 50.0 114.136 -172.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.7 m -111.23 160.62 16.81 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 104.617 -2.364 . . . . 50.0 104.617 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.4 m -129.54 174.29 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 109.574 -0.528 . . . . 50.0 109.574 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.5 t -121.65 122.68 40.14 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 118.635 -0.698 . . . . 50.0 109.246 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -108.73 179.0 21.19 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 122.95 1.306 . . . . 50.0 115.796 -174.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -62.37 -15.07 42.69 Favored 'Trans proline' 0 C--O 1.201 -1.354 0 N-CA-C 116.669 1.757 . . . . 50.0 116.669 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -80.85 -4.62 55.41 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-N 119.22 0.918 . . . . 50.0 108.853 177.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.02 18.69 76.34 Favored Glycine 0 C--O 1.25 1.116 0 CA-C-O 122.301 0.945 . . . . 25.0 111.56 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -123.69 143.15 50.45 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 109.006 -0.738 . . . . 50.0 109.006 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 21.7 m -67.21 143.96 56.24 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 105.785 -1.931 . . . . 25.0 105.785 175.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.218 0 CA-C-O 118.378 -1.235 . . . . 50.0 110.164 -176.45 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.314 0 N-CA-C 111.789 -0.524 . . . . 50.0 111.789 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 51.0 m -77.72 132.34 68.61 Favored Pre-proline 0 C--N 1.304 -1.385 0 CA-C-O 122.255 1.026 . . . . 50.0 111.389 -171.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -81.22 155.36 19.31 Favored 'Trans proline' 0 C--O 1.213 -0.761 0 C-N-CA 116.477 -1.882 . . . . 50.0 114.803 -175.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -127.77 76.93 76.88 Favored Pre-proline 0 C--N 1.313 -0.999 0 O-C-N 121.758 -0.589 . . . . 50.0 109.767 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.97 -41.4 71.64 Favored 'Trans proline' 0 C--O 1.192 -1.801 0 C-N-CA 122.677 2.251 . . . . 50.0 116.901 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -78.64 -40.94 32.81 Favored 'General case' 0 C--O 1.198 -1.642 0 CA-C-O 123.184 1.469 . . . . 50.0 107.201 177.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.62 -36.27 4.03 Favored Glycine 0 C--O 1.208 -1.469 0 CA-C-N 114.098 -1.41 . . . . 50.0 110.823 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -97.71 7.81 45.78 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.106 0.963 . . . . 25.0 110.344 176.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -72.11 137.17 81.8 Favored Pre-proline 0 C--N 1.321 -0.664 0 O-C-N 120.27 -1.519 . . . . 50.0 112.948 -172.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.67 166.27 26.59 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.555 2.17 . . . . 50.0 113.394 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.56 158.44 53.74 Favored 'Trans proline' 0 C--O 1.218 -0.512 0 C-N-CA 115.241 -2.706 . . . . 50.0 114.854 173.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.429 ' H ' HD21 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -83.24 162.33 21.23 Favored 'General case' 0 C--O 1.26 1.618 0 N-CA-C 108.856 -0.794 . . . . 50.0 108.856 173.446 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 p -76.77 154.46 33.99 Favored 'General case' 0 C--O 1.272 2.288 0 O-C-N 121.92 -0.488 . . . . 25.0 110.416 175.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.3 p -150.63 161.61 42.25 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 124.561 1.163 . . . . 50.0 109.077 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.32 -20.39 3.01 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.134 -0.691 . . . . 50.0 109.134 173.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -137.48 166.79 23.02 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 103.485 -2.783 . . . . 25.0 103.485 171.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -69.25 -25.54 64.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.981 -0.449 . . . . 50.0 111.583 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -19.26 59.36 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.914 0.709 . . . . 50.0 112.914 175.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -75.81 -19.33 59.03 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 118.317 0.508 . . . . 50.0 110.849 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.7 m -90.88 176.11 6.74 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.739 1.257 . . . . 50.0 111.825 -178.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.92 162.67 20.4 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 114.585 -1.189 . . . . 50.0 108.065 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 137.57 57.89 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 121.604 -0.685 . . . . 25.0 109.71 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.1 -5.8 84.35 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-N 115.071 -0.968 . . . . 50.0 114.729 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.4 m -113.41 161.63 17.08 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.181 -1.785 . . . . 50.0 106.181 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -132.67 170.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 109.042 -0.725 . . . . 50.0 109.042 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.9 t -109.37 150.37 28.14 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.41 -0.959 . . . . 50.0 108.41 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.04 170.66 20.09 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.416 -0.897 . . . . 50.0 113.282 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.32 -17.08 38.0 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 N-CA-C 117.14 1.938 . . . . 50.0 117.14 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -70.36 -17.68 63.05 Favored 'General case' 0 C--O 1.261 1.674 0 CA-C-N 118.148 0.431 . . . . 50.0 110.066 175.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.33 17.51 60.53 Favored Glycine 0 N--CA 1.472 1.038 0 CA-C-O 122.868 1.26 . . . . 25.0 111.7 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -133.62 147.68 51.49 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 107.116 -1.438 . . . . 50.0 107.116 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.1 t -70.3 151.45 45.27 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 124.95 1.406 . . . . 25.0 111.62 -175.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.771 0 N-CA-C 109.24 -1.544 . . . . 50.0 109.24 -179.796 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.539 0 CA-C-O 119.012 -0.882 . . . . 50.0 111.867 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -73.92 155.37 88.67 Favored Pre-proline 0 C--N 1.313 -0.98 0 CA-C-N 118.747 1.273 . . . . 50.0 112.206 -177.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.07 139.21 42.0 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 114.269 -3.354 . . . . 50.0 111.955 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -72.41 150.15 91.53 Favored Pre-proline 0 C--O 1.258 1.501 0 C-N-CA 119.426 -0.91 . . . . 50.0 110.392 -171.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -84.16 169.59 11.33 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 CA-C-N 118.825 0.616 . . . . 50.0 112.153 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -84.01 -17.85 39.07 Favored 'General case' 0 C--O 1.192 -1.959 0 CA-C-O 123.994 1.854 . . . . 50.0 108.032 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.94 21.28 16.24 Favored Glycine 0 C--O 1.203 -1.798 0 CA-C-N 113.387 -1.733 . . . . 50.0 111.671 175.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -107.74 -10.23 15.65 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-O 121.911 0.862 . . . . 25.0 110.603 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -141.51 147.41 46.06 Favored Pre-proline 0 C--N 1.318 -0.766 0 O-C-N 120.798 -1.189 . . . . 50.0 108.029 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -67.26 161.64 42.11 Favored 'Trans proline' 0 C--O 1.216 -0.579 0 C-N-CA 121.741 1.627 . . . . 50.0 113.249 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -66.86 163.37 33.76 Favored 'Trans proline' 0 CA--C 1.511 -0.627 0 C-N-CA 117.035 -1.51 . . . . 50.0 111.856 174.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.35 154.42 40.11 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 120.739 -1.225 . . . . 50.0 111.898 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -89.86 152.26 21.35 Favored 'General case' 0 C--O 1.272 2.238 0 CA-C-N 115.83 -0.623 . . . . 25.0 111.278 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.3 p -149.05 165.48 31.57 Favored 'General case' 0 C--O 1.258 1.539 0 O-C-N 124.255 0.972 . . . . 50.0 109.889 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.49 -5.57 3.73 Favored 'General case' 0 C--O 1.256 1.399 0 CA-C-O 120.759 0.314 . . . . 50.0 111.077 174.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -152.04 162.44 41.09 Favored 'General case' 0 CA--C 1.561 1.368 0 N-CA-C 105.635 -1.987 . . . . 25.0 105.635 174.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -59.39 -35.35 73.78 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.333 -0.394 . . . . 50.0 111.336 175.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -17.07 63.64 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.096 0.776 . . . . 50.0 113.096 -177.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -72.85 -18.37 61.45 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 118.501 0.592 . . . . 50.0 110.911 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.2 m -96.28 179.52 5.01 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 122.417 1.103 . . . . 50.0 113.799 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.5 mt -78.04 162.71 26.52 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 114.114 -1.403 . . . . 50.0 108.537 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.45 140.28 56.34 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.54 -3.5 85.16 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-O 118.867 -0.963 . . . . 50.0 114.658 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m -118.17 158.44 25.09 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 106.958 -1.497 . . . . 50.0 106.958 -177.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -133.44 172.24 16.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 106.366 -1.716 . . . . 50.0 106.366 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.9 t -110.73 133.06 53.67 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.854 -0.795 . . . . 50.0 108.854 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.9 175.65 24.27 Favored Glycine 0 N--CA 1.432 -1.579 0 N-CA-C 115.712 1.045 . . . . 50.0 115.712 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.89 -16.63 50.66 Favored 'Trans proline' 0 C--O 1.199 -1.468 0 N-CA-C 117.358 2.022 . . . . 50.0 117.358 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -85.71 -2.09 57.85 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-O 118.842 -0.599 . . . . 50.0 110.173 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.33 19.41 71.82 Favored Glycine 0 N--CA 1.472 1.077 0 CA-C-N 119.284 0.947 . . . . 25.0 111.883 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -123.77 149.37 45.71 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 106.45 -1.685 . . . . 50.0 106.45 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.8 t -70.95 148.37 47.76 Favored 'General case' 0 CA--C 1.519 -0.25 0 O-C-N 124.584 1.177 . . . . 25.0 109.211 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.172 0 CA-C-O 118.086 -1.397 . . . . 50.0 110.276 178.633 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -2.371 0 N-CA-C 110.661 -0.975 . . . . 50.0 110.661 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.2 m -66.14 156.61 84.09 Favored Pre-proline 0 N--CA 1.482 1.13 0 C-N-CA 124.392 1.077 . . . . 50.0 113.067 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -73.37 151.5 48.29 Favored 'Trans proline' 0 C--O 1.2 -1.407 0 C-N-CA 114.298 -3.335 . . . . 50.0 114.444 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -134.5 74.17 66.58 Favored Pre-proline 0 C--O 1.263 1.788 0 N-CA-C 112.735 0.643 . . . . 50.0 112.735 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -71.73 -19.4 27.68 Favored 'Trans proline' 0 C--O 1.198 -1.478 0 C-N-CA 124.246 3.298 . . . . 50.0 116.481 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.4 tpp85 -118.74 -42.75 2.71 Favored 'General case' 0 C--O 1.203 -1.374 0 CA-C-O 123.044 1.402 . . . . 50.0 110.858 174.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.82 -23.09 20.38 Favored Glycine 0 C--O 1.209 -1.457 0 CA-C-N 114.821 -1.081 . . . . 50.0 111.016 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -114.21 12.93 17.85 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 122.559 1.171 . . . . 25.0 110.142 174.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -74.84 139.27 73.45 Favored Pre-proline 0 C--N 1.312 -1.059 0 CA-C-N 115.319 -0.855 . . . . 50.0 109.904 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -68.73 165.22 30.34 Favored 'Trans proline' 0 C--O 1.212 -0.812 0 C-N-CA 121.549 1.5 . . . . 50.0 115.12 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -69.24 155.21 68.34 Favored 'Trans proline' 0 CA--C 1.506 -0.89 0 C-N-CA 116.196 -2.069 . . . . 50.0 114.946 175.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.471 ' H ' HD22 ' A' ' 12' ' ' LEU . 1.3 pt? -84.31 161.53 20.41 Favored 'General case' 0 C--O 1.254 1.317 0 CA-C-N 114.937 -1.029 . . . . 50.0 109.431 174.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.95 157.84 29.56 Favored 'General case' 0 C--O 1.272 2.245 0 O-C-N 122.257 -0.277 . . . . 25.0 111.674 174.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 30.8 p -142.51 164.92 28.81 Favored 'General case' 0 C--O 1.251 1.174 0 O-C-N 124.37 1.044 . . . . 50.0 112.079 173.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -140.71 -9.26 1.06 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 107.96 -1.126 . . . . 50.0 107.96 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -143.37 163.74 32.22 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 106.177 -1.786 . . . . 25.0 106.177 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.32 -35.87 80.39 Favored 'General case' 0 N--CA 1.434 -1.229 0 O-C-N 123.846 0.716 . . . . 50.0 112.275 172.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.1 t -69.27 -7.8 40.24 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 119.899 -0.72 . . . . 50.0 112.084 -177.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -68.92 -25.65 64.69 Favored 'General case' 0 CA--C 1.492 -1.256 0 O-C-N 121.334 -0.854 . . . . 50.0 111.786 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.2 m -94.87 167.26 11.53 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 122.407 1.099 . . . . 50.0 112.272 -176.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.9 mt -80.48 162.59 24.31 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 107.295 -1.372 . . . . 50.0 107.295 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.97 134.34 31.96 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 108.171 -1.048 . . . . 25.0 108.171 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.7 -14.66 60.34 Favored Glycine 0 C--N 1.341 0.813 0 N-CA-C 115.659 1.024 . . . . 50.0 115.659 -174.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 m -119.37 149.82 41.19 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 106.278 -1.749 . . . . 50.0 106.278 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.9 m -125.69 168.48 18.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 108.049 -1.093 . . . . 50.0 108.049 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.7 t -93.18 119.55 32.5 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 120.697 -0.401 . . . . 50.0 110.968 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.07 179.03 40.82 Favored Glycine 0 C--O 1.247 0.955 0 CA-C-O 122.875 1.264 . . . . 50.0 115.703 -174.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -75.26 -12.48 21.02 Favored 'Trans proline' 0 N--CA 1.502 1.993 0 N-CA-C 114.994 1.113 . . . . 50.0 114.994 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -82.98 -5.58 59.14 Favored 'General case' 0 C--O 1.255 1.348 0 N-CA-C 109.193 -0.669 . . . . 50.0 109.193 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.28 19.25 59.16 Favored Glycine 0 N--CA 1.468 0.828 0 CA-C-O 122.021 0.789 . . . . 25.0 111.428 -177.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -127.59 144.74 51.04 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.299 0.639 . . . . 50.0 109.999 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.407 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 16.0 m -69.71 143.16 53.17 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 107.138 -1.43 . . . . 25.0 107.138 177.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.869 0 N-CA-C 110.327 -1.109 . . . . 50.0 110.327 -175.192 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.964 0 N-CA-C 110.353 -1.099 . . . . 50.0 110.353 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 87.0 m -62.65 146.53 94.17 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 114.295 1.22 . . . . 50.0 114.295 -175.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -68.72 140.67 47.42 Favored 'Trans proline' 0 C--O 1.209 -0.968 0 C-N-CA 115.692 -2.405 . . . . 50.0 113.259 -178.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 24.19 77.38 0.24 Allowed Pre-proline 0 CA--C 1.566 1.586 0 N-CA-C 114.477 1.288 . . . . 25.0 114.477 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.07 149.37 32.4 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 115.339 -2.641 . . . . 50.0 111.238 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -77.08 -41.55 41.8 Favored 'General case' 0 C--O 1.19 -2.043 0 CA-C-O 122.977 1.37 . . . . 50.0 109.037 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.18 -6.66 72.35 Favored Glycine 0 C--O 1.192 -2.499 0 CA-C-N 114.326 -1.306 . . . . 50.0 110.709 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -100.4 -22.38 15.07 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 123.001 1.381 . . . . 25.0 109.208 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -71.93 133.91 83.77 Favored Pre-proline 0 C--N 1.309 -1.159 0 CA-C-N 115.032 -0.985 . . . . 50.0 113.479 -173.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.41 162.95 40.56 Favored 'Trans proline' 0 C--O 1.221 -0.352 0 O-C-N 122.986 0.993 . . . . 50.0 111.858 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -72.66 154.62 54.58 Favored 'Trans proline' 0 CA--C 1.495 -1.461 0 C-N-CA 114.67 -3.087 . . . . 50.0 113.573 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pp -110.56 154.46 23.69 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 116.409 -0.36 . . . . 50.0 110.356 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.31 147.41 29.9 Favored 'General case' 0 C--O 1.271 2.233 0 N-CA-C 113.0 0.741 . . . . 25.0 113.0 -177.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.2 p -144.3 171.68 13.98 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 124.349 1.031 . . . . 50.0 109.539 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.27 -16.61 1.21 Allowed 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 109.339 -0.615 . . . . 50.0 109.339 172.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -137.82 166.5 23.85 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 104.036 -2.579 . . . . 25.0 104.036 171.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -71.83 -26.83 62.55 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 112.367 0.506 . . . . 50.0 112.367 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -12.35 51.25 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 112.366 0.506 . . . . 50.0 112.366 177.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -72.69 -14.75 61.64 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 118.104 0.411 . . . . 50.0 110.918 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -115.63 -169.03 1.5 Allowed 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.635 0.731 . . . . 50.0 111.861 -175.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.9 mt -81.61 160.13 23.86 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.074 -1.084 . . . . 50.0 108.074 -174.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.31 134.83 55.45 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 106.597 -1.631 . . . . 25.0 106.597 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.78 -11.88 69.27 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-N 116.07 -0.514 . . . . 50.0 114.314 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.415 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 81.8 m -93.24 168.22 11.23 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 106.842 -1.54 . . . . 50.0 106.842 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 m -131.8 171.15 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 108.814 -0.81 . . . . 50.0 108.814 174.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.2 t -114.9 120.73 40.95 Favored 'General case' 0 CA--C 1.558 1.278 0 N-CA-C 106.0 -1.852 . . . . 50.0 106.0 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.87 177.73 33.04 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-O 123.476 1.598 . . . . 50.0 115.889 -172.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.05 -14.26 42.41 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 N-CA-C 115.916 1.468 . . . . 50.0 115.916 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -83.04 -6.62 59.56 Favored 'General case' 0 C--O 1.259 1.562 0 O-C-N 123.556 0.535 . . . . 50.0 110.128 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.12 22.11 66.31 Favored Glycine 0 N--CA 1.472 1.05 0 N-CA-C 110.546 -1.021 . . . . 25.0 110.546 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -127.39 145.71 50.72 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 106.788 -1.56 . . . . 50.0 106.788 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 49.2 t -68.99 141.19 54.98 Favored 'General case' 0 C--O 1.209 -1.04 0 C-N-CA 124.851 1.26 . . . . 25.0 108.8 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.74 0 CA-C-O 117.942 -1.477 . . . . 50.0 109.45 174.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.835 0 CA-C-O 118.471 -1.183 . . . . 50.0 110.678 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.1 m -70.0 151.17 96.2 Favored Pre-proline 0 CA--C 1.492 -1.254 0 CA-C-N 119.124 1.462 . . . . 50.0 111.716 -177.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -75.05 145.79 31.71 Favored 'Trans proline' 0 C--O 1.202 -1.277 0 C-N-CA 114.963 -2.891 . . . . 50.0 114.691 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -143.05 63.76 13.52 Favored Pre-proline 0 C--O 1.243 0.744 0 O-C-N 121.583 -0.698 . . . . 75.0 109.453 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -71.86 -11.26 27.42 Favored 'Trans proline' 0 C--O 1.194 -1.676 0 C-N-CA 123.05 2.5 . . . . 50.0 117.303 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -122.27 -33.01 3.56 Favored 'General case' 0 C--O 1.192 -1.97 0 CA-C-O 121.885 0.85 . . . . 50.0 111.665 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.02 -17.17 59.31 Favored Glycine 0 C--O 1.195 -2.299 0 N-CA-C 110.406 -1.077 . . . . 50.0 110.406 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -113.87 4.41 15.84 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 122.182 0.991 . . . . 25.0 111.739 173.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -71.34 133.35 85.34 Favored Pre-proline 0 CA--C 1.549 0.905 0 N-CA-C 108.745 -0.835 . . . . 50.0 108.745 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -68.54 155.02 70.42 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 120.658 0.906 . . . . 50.0 114.138 -173.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.31 158.98 54.57 Favored 'Trans proline' 0 CA--C 1.509 -0.754 0 O-C-N 123.739 1.389 . . . . 50.0 114.435 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.52 159.12 27.04 Favored 'General case' 0 C--O 1.27 2.159 0 CA-C-N 115.973 -0.558 . . . . 50.0 110.949 173.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.7 p -80.94 149.72 29.28 Favored 'General case' 0 C--O 1.278 2.604 0 O-C-N 121.843 -0.536 . . . . 25.0 111.171 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -148.57 173.05 13.56 Favored 'General case' 0 C--O 1.255 1.394 0 O-C-N 123.92 0.762 . . . . 50.0 109.487 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.58 -21.22 0.74 Allowed 'General case' 0 C--O 1.242 0.661 0 N-CA-C 109.235 -0.654 . . . . 50.0 109.235 170.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -134.93 164.07 28.43 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 106.142 -1.799 . . . . 25.0 106.142 172.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -58.75 -34.15 71.07 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.718 -0.614 . . . . 50.0 112.537 174.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.49 -15.9 42.18 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 113.421 0.897 . . . . 50.0 113.421 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -75.81 -20.27 58.32 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 118.152 0.433 . . . . 50.0 110.866 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.4 m -94.39 177.9 5.79 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 122.906 1.336 . . . . 50.0 113.434 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.13 162.12 24.92 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.177 -1.786 . . . . 50.0 106.177 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.36 143.38 53.19 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 106.694 -1.595 . . . . 25.0 106.694 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.57 -1.75 87.24 Favored Glycine 0 N--CA 1.472 1.095 0 N-CA-C 115.731 1.052 . . . . 50.0 115.731 -175.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.0 m -121.21 161.57 21.67 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.365 -0.976 . . . . 50.0 108.365 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.9 m -132.36 167.13 27.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 N-CA-C 109.548 -0.538 . . . . 50.0 109.548 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.1 t -99.79 129.02 45.86 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-O 118.67 -0.681 . . . . 50.0 111.156 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.58 176.86 35.55 Favored Glycine 0 CA--C 1.537 1.426 0 CA-C-O 123.1 1.389 . . . . 50.0 114.938 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.81 -12.65 26.53 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 N-CA-C 115.139 1.169 . . . . 50.0 115.139 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -89.85 1.44 56.18 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 121.847 -0.533 . . . . 50.0 110.451 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.26 21.64 64.55 Favored Glycine 0 N--CA 1.472 1.048 0 C-N-CA 119.864 -1.16 . . . . 25.0 111.416 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -129.52 147.58 51.34 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 106.637 -1.616 . . . . 50.0 106.637 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.57 155.35 40.15 Favored 'General case' 0 CA--C 1.518 -0.279 0 O-C-N 124.945 1.403 . . . . 25.0 110.447 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.433 0 N-CA-C 108.826 -1.71 . . . . 50.0 108.826 -177.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.311 0 CA-C-O 119.3 -0.722 . . . . 50.0 112.021 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.1 m 61.26 150.55 0.1 OUTLIER Pre-proline 0 N--CA 1.478 0.95 0 N-CA-C 117.658 2.466 . . . . 50.0 117.658 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -78.12 111.9 3.15 Favored 'Trans proline' 0 N--CA 1.477 0.553 0 C-N-CA 115.796 -2.336 . . . . 50.0 113.358 -176.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 31.09 72.78 0.52 Allowed Pre-proline 0 CA--C 1.578 2.029 0 CA-C-N 113.853 -1.521 . . . . 25.0 111.642 -176.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -74.08 144.1 33.35 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 116.063 -2.158 . . . . 50.0 113.18 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -73.8 -34.41 64.62 Favored 'General case' 0 C--O 1.197 -1.687 0 CA-C-O 123.321 1.534 . . . . 50.0 111.138 -173.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.26 17.63 60.46 Favored Glycine 0 C--O 1.198 -2.108 0 CA-C-N 114.752 -1.113 . . . . 50.0 110.973 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -123.54 -26.02 4.27 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.615 1.198 . . . . 25.0 111.595 177.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -75.17 142.28 75.34 Favored Pre-proline 0 C--N 1.317 -0.838 0 O-C-N 120.787 -1.196 . . . . 50.0 112.31 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.4 163.26 37.22 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.548 2.165 . . . . 50.0 112.178 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -71.16 166.5 29.01 Favored 'Trans proline' 0 CA--C 1.491 -1.656 0 C-N-CA 114.158 -3.428 . . . . 50.0 114.241 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.04 155.43 43.25 Favored 'General case' 0 C--O 1.261 1.71 0 N-CA-C 108.152 -1.055 . . . . 50.0 108.152 176.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 p -82.55 155.95 24.24 Favored 'General case' 0 C--O 1.274 2.394 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -150.97 169.66 21.22 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.506 1.129 . . . . 50.0 108.442 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 t -141.33 -18.49 0.79 Allowed 'General case' 0 C--N 1.347 0.471 0 N-CA-C 108.635 -0.876 . . . . 50.0 108.635 171.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -134.86 169.02 18.01 Favored 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 103.086 -2.931 . . . . 25.0 103.086 169.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -72.43 -24.01 61.16 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.813 0.672 . . . . 50.0 112.813 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.0 t -66.36 -13.4 60.55 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 118.684 -0.674 . . . . 50.0 111.221 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -72.36 -11.22 60.6 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-N 118.503 0.592 . . . . 50.0 110.773 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.4 t -118.68 -174.77 2.75 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.895 1.443 . . . . 50.0 114.895 -175.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.0 mt -77.78 153.54 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.443 1.116 . . . . 50.0 109.49 -173.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.67 121.6 12.65 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.69 -10.92 35.32 Favored Glycine 0 C--N 1.347 1.168 0 N-CA-C 115.509 0.964 . . . . 50.0 115.509 -173.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.49 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 78.8 m -101.24 164.41 11.8 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 107.863 -1.162 . . . . 50.0 107.863 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -127.21 170.21 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 108.772 -0.825 . . . . 50.0 108.772 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.4 t -111.55 124.6 52.62 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.202 -0.666 . . . . 50.0 109.202 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.74 177.14 38.55 Favored Glycine 0 C--O 1.248 0.997 0 CA-C-O 123.201 1.445 . . . . 50.0 116.131 -174.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.38 -9.41 23.01 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 N-CA-C 114.83 1.05 . . . . 50.0 114.83 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -88.87 -1.98 58.36 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 108.264 -1.013 . . . . 50.0 108.264 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.89 17.97 68.83 Favored Glycine 0 N--CA 1.472 1.067 0 CA-C-N 119.215 0.916 . . . . 25.0 111.795 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -123.27 145.77 48.41 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 107.507 -1.294 . . . . 50.0 107.507 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 43.7 t -65.83 148.14 52.25 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 125.212 1.57 . . . . 25.0 108.705 177.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.832 0 CA-C-O 117.961 -1.466 . . . . 50.0 110.313 -177.912 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.413 -2.861 0 N-CA-C 111.29 -0.724 . . . . 50.0 111.29 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.5 m -75.61 157.98 83.62 Favored Pre-proline 0 C--O 1.246 0.897 0 N-CA-C 114.933 1.457 . . . . 50.0 114.933 -174.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.99 167.62 26.77 Favored 'Trans proline' 0 C--O 1.207 -1.069 0 C-N-CA 116.733 -1.711 . . . . 50.0 114.061 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.4 mtt85 -129.67 69.7 81.6 Favored Pre-proline 0 C--N 1.308 -1.204 0 O-C-N 121.199 -0.938 . . . . 50.0 112.107 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -71.28 -13.24 30.72 Favored 'Trans proline' 0 C--O 1.204 -1.216 0 N-CA-C 116.468 1.68 . . . . 50.0 116.468 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -130.96 -54.55 1.05 Allowed 'General case' 0 C--O 1.188 -2.159 0 N-CA-C 107.301 -1.37 . . . . 50.0 107.301 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.99 9.93 72.94 Favored Glycine 0 C--O 1.203 -1.812 0 N-CA-C 111.186 -0.766 . . . . 50.0 111.186 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -126.48 9.17 7.14 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 122.767 1.27 . . . . 25.0 112.6 178.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.45 146.07 30.94 Favored Pre-proline 0 C--N 1.306 -1.293 0 O-C-N 120.351 -1.468 . . . . 50.0 111.959 -172.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -70.76 162.73 41.58 Favored 'Trans proline' 0 C--O 1.198 -1.492 0 C-N-CA 122.927 2.418 . . . . 50.0 115.05 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -68.45 157.43 61.88 Favored 'Trans proline' 0 CA--C 1.497 -1.343 0 C-N-CA 113.632 -3.779 . . . . 50.0 113.189 171.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.87 156.68 16.48 Favored 'General case' 0 C--O 1.252 1.223 0 N-CA-C 107.453 -1.314 . . . . 50.0 107.453 173.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -82.52 157.05 23.7 Favored 'General case' 0 C--O 1.272 2.243 0 O-C-N 121.995 -0.441 . . . . 25.0 111.261 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.6 p -150.43 165.97 31.55 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 124.609 1.193 . . . . 50.0 109.854 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.35 -13.36 3.9 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.422 0.451 . . . . 50.0 110.242 176.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -150.24 164.08 36.63 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 105.774 -1.936 . . . . 25.0 105.774 173.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.62 -32.13 71.28 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.809 1.04 . . . . 50.0 113.809 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -69.53 -13.45 62.34 Favored 'General case' 0 CA--C 1.568 1.667 0 CA-C-O 118.523 -0.751 . . . . 50.0 111.458 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -67.8 -25.48 65.61 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-N 119.626 1.103 . . . . 50.0 109.641 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.1 m -88.23 174.07 8.41 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 114.287 1.218 . . . . 50.0 114.287 -178.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.2 mt -77.13 164.34 25.76 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 114.652 -1.158 . . . . 50.0 108.226 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.84 135.35 57.28 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 106.251 -1.759 . . . . 25.0 106.251 173.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.17 -9.08 69.99 Favored Glycine 0 C--N 1.351 1.363 0 N-CA-C 114.582 0.593 . . . . 50.0 114.582 -174.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.3 m -117.64 158.24 24.99 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 107.443 -1.318 . . . . 50.0 107.443 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.1 m -130.55 166.88 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 108.328 -0.99 . . . . 50.0 108.328 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.1 t -102.35 134.56 45.45 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.535 -1.283 . . . . 50.0 107.535 175.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -103.15 172.65 21.66 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 119.948 -1.12 . . . . 50.0 114.383 -175.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -62.5 -19.86 68.89 Favored 'Trans proline' 0 N--CA 1.49 1.315 0 C-N-CA 120.647 0.898 . . . . 50.0 113.533 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -72.42 -14.17 61.63 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 123.83 0.706 . . . . 50.0 110.594 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.83 12.94 76.3 Favored Glycine 0 C--O 1.247 0.939 0 CA-C-O 122.375 0.986 . . . . 25.0 111.102 -176.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -122.44 147.87 45.8 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 107.077 -1.453 . . . . 50.0 107.077 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.7 t -73.54 149.53 42.13 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 125.348 1.655 . . . . 25.0 109.792 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.079 -1.401 . . . . 50.0 111.878 -177.4 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -1.329 0 N-CA-C 110.875 -0.89 . . . . 50.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.9 m -76.86 160.86 75.65 Favored Pre-proline 0 C--N 1.313 -0.998 0 CA-C-N 118.917 1.359 . . . . 50.0 113.756 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.49 151.99 70.67 Favored 'Trans proline' 0 C--O 1.2 -1.401 0 C-N-CA 113.923 -3.585 . . . . 50.0 111.968 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -125.82 65.1 53.11 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 -174.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.09 -16.81 28.6 Favored 'Trans proline' 0 C--N 1.364 1.389 0 N-CA-C 116.483 1.686 . . . . 50.0 116.483 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -138.25 142.28 39.89 Favored 'General case' 0 C--O 1.259 1.602 0 N-CA-C 104.826 -2.287 . . . . 25.0 104.826 -177.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.6 -19.74 57.69 Favored Glycine 0 C--O 1.184 -3.003 0 N-CA-C 109.504 -1.438 . . . . 50.0 109.504 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -107.58 20.62 18.62 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.514 1.126 . . . . 25.0 112.574 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -61.6 136.41 94.55 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 121.914 -0.491 . . . . 50.0 112.002 -173.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.38 157.13 57.4 Favored 'Trans proline' 0 C--O 1.206 -1.084 0 O-C-N 122.925 0.96 . . . . 50.0 113.124 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.49 164.04 33.18 Favored 'Trans proline' 0 CA--C 1.489 -1.733 0 C-N-CA 114.4 -3.266 . . . . 50.0 112.591 174.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.33 150.98 35.43 Favored 'General case' 0 C--O 1.253 1.244 0 N-CA-C 107.66 -1.237 . . . . 50.0 107.66 173.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 p -86.18 150.58 24.3 Favored 'General case' 0 C--O 1.262 1.729 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.2 p -147.07 166.57 26.5 Favored 'General case' 0 C--O 1.25 1.085 0 O-C-N 125.062 1.476 . . . . 50.0 110.005 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.63 -9.33 2.45 Favored 'General case' 0 C--O 1.252 1.221 0 N-CA-C 109.257 -0.646 . . . . 50.0 109.257 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -146.75 165.01 30.92 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 105.327 -2.101 . . . . 25.0 105.327 175.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -66.82 -31.33 71.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.148 0.499 . . . . 50.0 111.622 173.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.8 m -66.53 -11.95 55.23 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.216 0.821 . . . . 50.0 113.216 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -72.23 -21.46 61.39 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-O 121.214 0.531 . . . . 50.0 109.991 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.9 m -100.87 168.81 9.4 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 122.423 1.106 . . . . 50.0 112.323 -175.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.3 mt -76.19 160.25 29.89 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 122.142 0.972 . . . . 50.0 108.612 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.68 131.98 50.77 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 106.126 -1.805 . . . . 25.0 106.126 173.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.89 -8.56 65.57 Favored Glycine 0 N--CA 1.476 1.337 0 C-N-CA 120.549 -0.834 . . . . 50.0 115.053 -172.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.7 m -118.47 151.8 37.13 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 103.534 -2.765 . . . . 50.0 103.534 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.13 161.32 41.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 N-CA-C 109.412 -0.588 . . . . 50.0 109.412 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.8 t -103.22 125.5 49.92 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.98 -0.748 . . . . 50.0 108.98 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.12 178.73 26.99 Favored Glycine 0 N--CA 1.432 -1.586 0 CA-C-O 122.967 1.315 . . . . 50.0 116.301 -174.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -64.6 -15.94 52.63 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.789 2.326 . . . . 50.0 116.158 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -87.17 -1.63 58.03 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 108.849 -0.797 . . . . 50.0 108.849 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.79 15.71 78.76 Favored Glycine 0 N--CA 1.467 0.72 0 N-CA-C 110.526 -1.03 . . . . 25.0 110.526 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -121.25 149.79 42.34 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 107.242 -1.392 . . . . 50.0 107.242 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 t -78.23 150.57 33.43 Favored 'General case' 0 C--O 1.221 -0.433 0 O-C-N 124.83 1.332 . . . . 25.0 108.947 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.143 -1.365 . . . . 50.0 111.422 -179.594 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.949 0 CA-C-O 119.063 -0.854 . . . . 50.0 111.346 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 m 64.52 163.26 0.12 Allowed Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 117.222 2.304 . . . . 50.0 117.222 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.1 144.59 63.99 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 114.971 -2.886 . . . . 50.0 111.095 176.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -67.36 148.71 98.67 Favored Pre-proline 0 C--O 1.243 0.759 0 N-CA-C 109.663 -0.495 . . . . 50.0 109.663 -178.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -70.97 166.86 27.72 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 118.289 -0.674 . . . . 50.0 112.97 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -73.18 -17.42 61.37 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.505 0.928 . . . . 50.0 113.505 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.85 -156.27 8.92 Favored Glycine 0 C--O 1.216 -0.992 1 N-CA-C 101.305 -4.718 . . . . 50.0 101.305 -177.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -75.55 20.38 0.17 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 119.418 1.609 . . . . 25.0 113.477 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -58.56 146.0 74.82 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 116.183 -0.462 . . . . 50.0 110.964 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -73.79 165.83 31.24 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 121.302 1.335 . . . . 50.0 113.266 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.31 161.58 45.3 Favored 'Trans proline' 0 C--N 1.354 0.841 0 O-C-N 121.946 0.445 . . . . 50.0 113.046 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.23 152.12 44.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.089 -0.505 . . . . 50.0 110.806 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 p -80.98 149.05 29.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.743 -0.662 . . . . 25.0 109.553 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.2 p -150.92 168.32 24.88 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.518 -1.29 . . . . 50.0 107.518 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.17 -27.55 1.59 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.356 -0.979 . . . . 50.0 108.356 176.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -130.18 162.62 28.48 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.092 -1.818 . . . . 25.0 106.092 173.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -69.75 -25.34 63.78 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.065 0.46 . . . . 50.0 110.001 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 t -68.16 -6.58 24.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.847 1.054 . . . . 50.0 113.847 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -82.97 -13.01 56.81 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.784 0.802 . . . . 50.0 109.504 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.1 m -99.78 172.07 7.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 122.073 0.939 . . . . 50.0 113.233 -175.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -68.14 150.87 47.82 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.118 -1.438 . . . . 50.0 107.118 173.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.89 133.91 56.56 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.86 1.15 60.02 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.979 -0.629 . . . . 50.0 112.042 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.3 m -121.98 163.23 19.69 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.823 -1.547 . . . . 50.0 106.823 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.3 m -133.34 164.59 34.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.237 -0.653 . . . . 50.0 109.237 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 38.4 t -94.39 127.33 40.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.397 -0.964 . . . . 50.0 108.397 175.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.1 169.31 33.3 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 121.312 -0.471 . . . . 50.0 112.788 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.38 -16.54 42.1 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.443 2.762 . . . . 50.0 115.551 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -87.08 0.28 55.5 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.935 -0.478 . . . . 50.0 111.664 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.57 20.14 69.51 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.78 -0.928 . . . . 25.0 110.78 -177.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -128.03 147.94 50.53 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.248 -0.649 . . . . 50.0 109.248 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.2 t -75.93 158.32 32.15 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.284 -0.416 . . . . 25.0 111.444 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 111.499 -0.64 . . . . 50.0 111.499 176.545 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.798 0 N-CA-C 110.741 -0.944 . . . . 50.0 110.741 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.3 m -64.87 138.65 97.54 Favored Pre-proline 0 C--O 1.252 1.23 0 CA-C-N 118.625 1.213 . . . . 50.0 110.245 -177.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -77.75 155.62 31.06 Favored 'Trans proline' 0 C--O 1.196 -1.611 0 C-N-CA 115.921 -2.253 . . . . 50.0 116.314 -166.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -125.71 78.18 69.19 Favored Pre-proline 0 C--O 1.253 1.252 0 N-CA-C 105.445 -2.057 . . . . 75.0 105.445 173.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -67.87 -18.91 47.04 Favored 'Trans proline' 0 C--O 1.202 -1.313 0 N-CA-C 117.051 1.904 . . . . 50.0 117.051 -176.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -105.93 -39.47 6.0 Favored 'General case' 0 C--O 1.195 -1.769 0 N-CA-C 107.9 -1.148 . . . . 50.0 107.9 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.36 -23.67 35.22 Favored Glycine 0 C--O 1.203 -1.799 0 N-CA-C 109.81 -1.316 . . . . 50.0 109.81 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -104.48 0.25 28.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 122.488 1.137 . . . . 25.0 109.724 174.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -76.07 138.35 68.81 Favored Pre-proline 0 CA--C 1.551 0.995 0 O-C-N 120.952 -1.092 . . . . 50.0 113.052 -173.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -68.46 166.31 26.09 Favored 'Trans proline' 0 C--O 1.22 -0.401 0 C-N-CA 122.049 1.833 . . . . 50.0 112.613 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -69.1 154.23 70.66 Favored 'Trans proline' 0 CA--C 1.507 -0.849 0 C-N-CA 115.406 -2.596 . . . . 50.0 113.328 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -74.87 159.09 32.33 Favored 'General case' 0 C--O 1.247 0.966 0 O-C-N 120.951 -1.093 . . . . 50.0 110.311 176.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.0 p -84.81 158.32 20.71 Favored 'General case' 0 C--O 1.268 2.028 0 CA-C-O 119.225 -0.417 . . . . 25.0 111.154 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.6 p -152.92 167.03 30.48 Favored 'General case' 0 C--O 1.247 0.943 0 O-C-N 124.6 1.188 . . . . 50.0 110.573 175.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.75 -13.11 2.58 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 109.877 -0.416 . . . . 50.0 109.877 173.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -145.07 165.98 26.68 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 105.906 -1.887 . . . . 25.0 105.906 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.24 -36.97 78.95 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 114.071 1.137 . . . . 50.0 114.071 171.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -14.64 53.04 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.649 0.981 . . . . 50.0 113.649 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -75.52 -11.57 60.05 Favored 'General case' 0 CA--C 1.497 -1.066 0 CA-C-N 119.156 0.889 . . . . 50.0 110.089 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 72.5 m -106.34 170.94 7.63 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 122.046 0.926 . . . . 50.0 112.004 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.57 159.56 29.18 Favored 'General case' 0 C--O 1.212 -0.883 0 N-CA-C 108.354 -0.98 . . . . 50.0 108.354 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 126.57 27.85 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 105.947 -1.872 . . . . 25.0 105.947 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.86 -4.6 53.15 Favored Glycine 0 N--CA 1.472 1.058 0 N-CA-C 115.056 0.783 . . . . 50.0 115.056 -174.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.5 m -121.96 159.32 27.18 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 102.996 -2.965 . . . . 50.0 102.996 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.41 167.62 24.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 118.685 0.675 . . . . 50.0 109.818 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.8 t -102.75 125.0 49.32 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 117.887 0.312 . . . . 50.0 111.228 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -95.37 -179.82 36.54 Favored Glycine 0 CA--C 1.537 1.453 0 CA-C-O 123.041 1.356 . . . . 50.0 114.258 -176.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -75.34 -6.76 18.21 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 N-CA-C 115.741 1.4 . . . . 50.0 115.741 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -88.12 -4.55 58.74 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.508 -0.923 . . . . 50.0 108.508 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.8 21.15 69.28 Favored Glycine 0 N--CA 1.471 0.984 0 O-C-N 121.025 -1.047 . . . . 25.0 110.57 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -127.42 146.12 50.59 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 107.2 -1.407 . . . . 50.0 107.2 176.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.6 t -72.68 148.68 44.5 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 124.15 0.906 . . . . 25.0 108.737 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.867 0 N-CA-C 109.15 -1.58 . . . . 50.0 109.15 -177.09 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.417 -2.587 0 N-CA-C 111.484 -0.646 . . . . 50.0 111.484 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.3 m -66.39 152.89 93.86 Favored Pre-proline 0 CA--C 1.505 -0.752 0 N-CA-C 115.221 1.563 . . . . 50.0 115.221 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -77.44 154.45 31.62 Favored 'Trans proline' 0 C--O 1.207 -1.045 0 C-N-CA 117.814 -0.991 . . . . 50.0 113.705 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -154.32 148.52 19.17 Favored Pre-proline 0 CA--C 1.483 -1.616 0 N-CA-C 105.124 -2.176 . . . . 25.0 105.124 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -72.67 -22.43 20.71 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 123.195 2.597 . . . . 50.0 116.876 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 -143.08 158.26 43.77 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 100.456 -3.905 . . . . 50.0 100.456 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.32 10.7 67.35 Favored Glycine 0 C--O 1.19 -2.606 0 C-N-CA 120.652 -0.785 . . . . 50.0 113.159 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -90.01 -31.7 17.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.363 0.582 . . . . 25.0 111.347 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -72.29 144.37 86.88 Favored Pre-proline 0 C--O 1.241 0.617 0 C-N-CA 118.77 -1.172 . . . . 50.0 113.507 -174.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.71 159.48 50.74 Favored 'Trans proline' 0 C--O 1.211 -0.869 0 O-C-N 123.749 1.394 . . . . 50.0 114.721 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -65.55 155.16 70.4 Favored 'Trans proline' 0 C--O 1.216 -0.585 0 C-N-CA 115.944 -2.237 . . . . 50.0 113.474 172.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.22 157.09 38.29 Favored 'General case' 0 C--O 1.254 1.327 0 O-C-N 122.329 -0.232 . . . . 50.0 110.833 178.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.5 p -78.87 151.49 31.77 Favored 'General case' 0 C--O 1.27 2.141 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.7 p -150.69 170.25 19.64 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 123.879 0.737 . . . . 50.0 110.452 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.6 -15.39 1.61 Allowed 'General case' 0 C--O 1.241 0.616 0 N-CA-C 110.176 -0.305 . . . . 50.0 110.176 170.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -138.9 165.36 27.27 Favored 'General case' 0 CA--C 1.558 1.257 0 N-CA-C 102.729 -3.063 . . . . 25.0 102.729 172.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -70.71 -25.32 62.9 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.016 -0.427 . . . . 50.0 111.815 176.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -12.63 53.83 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.801 0.667 . . . . 50.0 112.801 178.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -76.23 -16.14 59.88 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 121.322 0.582 . . . . 50.0 109.995 177.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 t -109.59 -169.07 1.41 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.671 0.748 . . . . 50.0 112.409 -175.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.5 mt -78.03 156.28 30.19 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 107.202 -1.407 . . . . 50.0 107.202 -174.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.65 130.77 46.48 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 105.965 -1.865 . . . . 25.0 105.965 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.53 -14.5 65.15 Favored Glycine 0 C--N 1.35 1.337 0 N-CA-C 115.818 1.087 . . . . 50.0 115.818 -176.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.416 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 33.3 m -87.13 166.19 15.17 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 105.289 -2.115 . . . . 50.0 105.289 176.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.13 174.03 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 120.368 -0.533 . . . . 50.0 110.2 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.4 t -121.31 118.29 29.14 Favored 'General case' 0 N--CA 1.44 -0.971 0 N-CA-C 109.324 -0.621 . . . . 50.0 109.324 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.24 177.3 42.6 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 123.031 1.351 . . . . 50.0 113.085 -176.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.09 -13.89 26.02 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 N-CA-C 114.746 1.018 . . . . 50.0 114.746 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -76.67 -3.95 40.63 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 109.504 -0.554 . . . . 50.0 109.504 176.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.97 19.25 70.5 Favored Glycine 0 N--CA 1.473 1.147 0 O-C-N 120.842 -1.161 . . . . 25.0 112.305 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -127.09 145.91 50.56 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.538 -0.912 . . . . 50.0 108.538 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 37.2 t -70.27 143.44 52.1 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 114.238 -1.346 . . . . 25.0 110.862 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.667 -1.074 . . . . 50.0 111.13 177.709 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 N-CA-C 110.999 -0.84 . . . . 50.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m 60.21 157.17 0.11 Allowed Pre-proline 0 N--CA 1.478 0.927 0 N-CA-C 118.847 2.906 . . . . 50.0 118.847 175.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -78.03 153.95 29.06 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 115.549 -2.501 . . . . 50.0 114.459 -177.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.69 144.68 42.98 Favored Pre-proline 0 C--O 1.263 1.796 0 N-CA-C 105.727 -1.953 . . . . 50.0 105.727 178.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -73.81 -20.45 19.87 Favored 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 121.88 1.72 . . . . 50.0 113.659 176.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -138.96 -48.07 0.49 Allowed 'General case' 0 C--O 1.188 -2.154 0 CA-C-O 122.381 1.086 . . . . 50.0 110.796 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.44 -7.31 81.63 Favored Glycine 0 C--O 1.198 -2.152 0 O-C-N 120.802 -1.186 . . . . 50.0 112.995 174.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -84.26 -7.93 59.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 122.952 1.358 . . . . 25.0 110.305 175.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.8 157.03 69.85 Favored Pre-proline 0 CA--C 1.55 0.969 0 N-CA-C 107.903 -1.147 . . . . 50.0 107.903 -176.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -64.67 167.41 15.41 Favored 'Trans proline' 0 C--O 1.206 -1.075 0 C-N-CA 121.988 1.792 . . . . 50.0 112.687 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -66.33 153.93 76.16 Favored 'Trans proline' 0 CA--C 1.508 -0.788 1 C-N-CA 112.576 -4.482 . . . . 50.0 113.562 173.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.38 153.47 29.72 Favored 'General case' 0 C--O 1.255 1.392 0 O-C-N 122.175 -0.328 . . . . 50.0 111.027 178.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.5 p -78.88 158.25 28.13 Favored 'General case' 0 C--O 1.272 2.251 0 N-CA-C 112.125 0.417 . . . . 25.0 112.125 -177.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 p -150.28 163.4 38.4 Favored 'General case' 0 C--O 1.253 1.273 0 O-C-N 124.752 1.282 . . . . 50.0 111.152 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.14 -21.45 1.62 Allowed 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 107.053 -1.462 . . . . 50.0 107.053 177.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -139.25 168.44 19.83 Favored 'General case' 0 CA--C 1.562 1.428 0 N-CA-C 105.553 -2.017 . . . . 25.0 105.553 171.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -66.74 -26.02 66.78 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.02 -0.536 . . . . 50.0 111.226 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 t -69.65 -14.1 62.64 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 119.55 -0.86 . . . . 50.0 111.232 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -70.01 -16.78 63.22 Favored 'General case' 0 CA--C 1.507 -0.686 0 O-C-N 121.016 -1.052 . . . . 50.0 108.876 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.7 m -104.13 173.23 6.39 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 122.087 0.946 . . . . 50.0 111.298 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 mp -81.0 159.62 24.8 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 106.325 -1.732 . . . . 50.0 106.325 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.74 129.15 38.96 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 105.049 -2.204 . . . . 25.0 105.049 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.19 -8.22 62.65 Favored Glycine 0 N--CA 1.472 1.085 0 O-C-N 124.307 1.005 . . . . 50.0 114.492 -173.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.1 m -114.33 154.15 28.54 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 103.041 -2.948 . . . . 50.0 103.041 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 m -133.89 164.9 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 CA-C-N 118.738 0.699 . . . . 50.0 111.159 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.9 t -101.69 113.84 27.36 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-N 116.307 -0.406 . . . . 50.0 111.74 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.33 177.38 42.5 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-O 123.186 1.437 . . . . 50.0 116.626 -172.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -63.1 -17.61 60.99 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 N-CA-C 116.923 1.855 . . . . 50.0 116.923 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -82.59 -7.27 59.65 Favored 'General case' 0 C--O 1.251 1.176 0 N-CA-C 108.781 -0.822 . . . . 50.0 108.781 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.92 17.84 64.54 Favored Glycine 0 N--CA 1.471 0.967 0 CA-C-O 122.749 1.194 . . . . 25.0 112.159 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -126.61 147.33 49.91 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 107.774 -1.195 . . . . 50.0 107.774 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 t -74.3 148.69 41.18 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 114.161 -1.381 . . . . 25.0 109.598 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.336 0 N-CA-C 110.732 -0.947 . . . . 50.0 110.732 -179.55 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.94 0 N-CA-C 110.103 -1.199 . . . . 50.0 110.103 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.8 m -75.48 140.28 71.96 Favored Pre-proline 0 C--N 1.306 -1.317 0 CA-C-N 118.691 1.245 . . . . 50.0 112.616 -172.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.1 152.73 40.64 Favored 'Trans proline' 0 C--O 1.215 -0.672 0 C-N-CA 115.335 -2.643 . . . . 50.0 113.706 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -95.51 154.29 39.32 Favored Pre-proline 0 C--O 1.275 2.441 0 N-CA-C 107.242 -1.392 . . . . 50.0 107.242 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -75.9 161.55 35.97 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 120.83 1.02 . . . . 50.0 111.236 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -59.02 -36.31 74.74 Favored 'General case' 0 C--O 1.176 -2.783 0 CA-C-O 121.694 0.759 . . . . 25.0 109.99 -173.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.2 -45.76 0.49 Allowed Glycine 0 C--O 1.195 -2.313 0 N-CA-C 115.71 1.044 . . . . 50.0 115.71 168.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -90.76 -25.94 19.73 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-O 123.528 1.632 . . . . 25.0 109.229 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -85.86 149.17 50.2 Favored Pre-proline 0 CA--C 1.556 1.188 0 O-C-N 120.521 -1.362 . . . . 50.0 109.759 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -68.95 165.28 30.57 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 121.946 1.764 . . . . 50.0 112.869 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -61.71 164.72 15.32 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 116.384 -1.944 . . . . 50.0 112.284 173.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.55 149.73 45.6 Favored 'General case' 0 C--O 1.263 1.77 0 O-C-N 121.316 -0.865 . . . . 50.0 112.314 -177.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.7 p -93.51 164.0 13.35 Favored 'General case' 0 C--O 1.258 1.52 0 N-CA-C 112.932 0.715 . . . . 25.0 112.932 -177.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.7 p -154.23 159.27 41.25 Favored 'General case' 0 C--O 1.26 1.635 0 N-CA-C 108.883 -0.784 . . . . 50.0 108.883 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.34 -12.4 7.32 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 121.243 0.544 . . . . 50.0 109.58 176.17 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -145.36 164.39 31.63 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 105.274 -2.121 . . . . 25.0 105.274 174.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -56.96 -39.47 74.65 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.088 0.867 . . . . 50.0 112.194 172.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -15.14 51.62 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.946 1.462 . . . . 50.0 114.946 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -76.53 -9.72 58.86 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 118.66 0.664 . . . . 50.0 111.389 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.3 m -94.35 174.81 6.95 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.29 1.219 . . . . 50.0 114.29 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mp -80.3 161.49 25.06 Favored 'General case' 0 C--O 1.209 -1.058 0 N-CA-C 107.765 -1.198 . . . . 50.0 107.765 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.87 124.49 20.33 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 121.291 -0.881 . . . . 25.0 109.036 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.8 -10.27 66.28 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 116.407 1.323 . . . . 50.0 116.407 -175.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -104.98 159.55 15.72 Favored 'General case' 0 CA--C 1.499 -1.007 0 N-CA-C 107.157 -1.423 . . . . 50.0 107.157 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.6 m -129.51 166.68 26.48 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 108.328 -0.99 . . . . 50.0 108.328 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.2 t -94.84 132.39 39.69 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-O 119.042 -0.504 . . . . 50.0 110.475 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.92 174.1 29.89 Favored Glycine 0 C--O 1.253 1.343 0 CA-C-O 122.89 1.272 . . . . 50.0 114.611 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -76.34 -10.33 19.05 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 N-CA-C 115.23 1.204 . . . . 50.0 115.23 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -90.36 0.9 57.06 Favored 'General case' 0 C--O 1.25 1.128 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 176.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.45 11.06 75.87 Favored Glycine 0 C--O 1.249 1.044 0 CA-C-O 122.519 1.066 . . . . 25.0 113.149 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -115.2 149.68 37.31 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.41 -1.33 . . . . 50.0 107.41 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.0 t -74.49 152.13 39.44 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 107.55 -1.278 . . . . 25.0 107.55 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.886 0 N-CA-C 110.269 -1.133 . . . . 50.0 110.269 -176.897 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.344 0 N-CA-C 111.757 -0.537 . . . . 50.0 111.757 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 62.8 m -71.16 156.51 91.77 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 122.777 0.431 . . . . 50.0 110.571 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -77.91 164.34 27.65 Favored 'Trans proline' 0 C--N 1.347 0.499 0 O-C-N 121.71 0.321 . . . . 50.0 112.68 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 57.6 80.86 0.27 Allowed Pre-proline 0 N--CA 1.485 1.292 0 C-N-CA 124.097 0.959 . . . . 50.0 113.314 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -55.23 148.21 51.24 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 121.445 1.43 . . . . 50.0 113.931 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -122.86 4.12 9.42 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.699 -0.682 . . . . 50.0 112.544 -174.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.96 -162.27 15.46 Favored Glycine 0 C--N 1.321 -0.27 0 N-CA-C 109.494 -1.442 . . . . 50.0 109.494 -173.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -73.79 20.07 0.1 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.644 1.177 . . . . 25.0 114.084 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.76 144.99 32.9 Favored Pre-proline 0 CA--C 1.555 1.167 0 N-CA-C 114.493 1.294 . . . . 50.0 114.493 -176.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -74.5 159.61 42.75 Favored 'Trans proline' 0 C--O 1.238 0.496 0 N-CA-C 113.164 0.409 . . . . 50.0 113.164 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -73.25 155.51 51.5 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 117.58 -1.147 . . . . 50.0 113.002 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -78.23 159.57 28.44 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.059 -0.719 . . . . 50.0 109.059 174.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.1 p -77.97 153.68 32.25 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.415 -0.957 . . . . 25.0 108.415 174.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 p -156.09 165.5 36.25 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.385 -0.969 . . . . 50.0 108.385 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.24 -17.38 3.03 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.829 -0.623 . . . . 50.0 109.544 174.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -141.95 161.01 39.04 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 104.845 -2.28 . . . . 25.0 104.845 175.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -69.55 -25.77 64.17 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.953 0.406 . . . . 50.0 110.338 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -14.25 26.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.225 1.194 . . . . 50.0 114.225 177.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -79.18 -15.1 58.58 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.399 0.619 . . . . 50.0 110.162 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.3 m -106.85 170.17 8.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.773 -0.649 . . . . 50.0 110.363 -177.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.62 152.47 35.86 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.054 -1.091 . . . . 50.0 108.054 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.86 133.37 54.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.18 -15.45 30.52 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 110.442 -1.063 . . . . 50.0 110.442 -175.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 m -113.84 164.99 13.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.988 -1.116 . . . . 50.0 107.988 175.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -136.09 167.67 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 107.635 -1.246 . . . . 50.0 107.635 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.0 t -100.5 130.0 46.52 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.98 -0.748 . . . . 50.0 108.98 175.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -97.46 169.07 24.5 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.876 -0.678 . . . . 50.0 112.956 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -60.16 -16.49 40.4 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 124.173 3.249 . . . . 50.0 115.58 -177.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -84.45 -1.51 55.76 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.574 -0.285 . . . . 50.0 111.717 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.19 19.05 70.38 Favored Glycine 0 N--CA 1.459 0.217 0 N-CA-C 110.457 -1.057 . . . . 25.0 110.457 -176.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -128.6 149.14 50.77 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.709 -0.849 . . . . 50.0 108.709 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 t -72.24 162.34 29.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.807 -1.088 . . . . 25.0 111.056 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 CA-C-O 117.784 -1.564 . . . . 50.0 109.806 177.665 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.357 0 N-CA-C 111.108 -0.797 . . . . 50.0 111.108 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.5 m -71.16 157.89 89.25 Favored Pre-proline 0 CA--C 1.552 1.038 0 CA-C-O 121.237 0.542 . . . . 50.0 109.646 -173.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -70.7 144.28 48.58 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 N-CA-C 114.455 0.906 . . . . 50.0 114.455 -176.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.8 ptt85 -128.93 78.96 75.44 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-N 115.693 -0.685 . . . . 50.0 109.269 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -77.12 -6.72 16.81 Favored 'Trans proline' 0 C--O 1.213 -0.759 0 N-CA-C 114.887 1.072 . . . . 50.0 114.887 -173.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -122.87 -40.65 2.41 Favored 'General case' 0 C--O 1.207 -1.133 0 N-CA-C 112.604 0.594 . . . . 25.0 112.604 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.77 6.92 88.46 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 120.276 -0.964 . . . . 50.0 111.962 -173.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -127.46 -26.79 2.97 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 122.137 0.97 . . . . 25.0 113.198 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.72 148.77 62.45 Favored Pre-proline 0 CA--C 1.546 0.815 0 N-CA-C 109.148 -0.686 . . . . 50.0 109.148 -174.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.82 162.71 37.02 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.937 2.425 . . . . 50.0 114.777 -176.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.21 160.68 48.88 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 117.936 -0.909 . . . . 50.0 113.158 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.73 154.39 34.15 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.378 -0.828 . . . . 50.0 109.013 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -81.08 152.93 27.61 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.786 -0.188 . . . . 25.0 111.217 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 p -154.96 170.37 21.89 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-O 122.444 1.116 . . . . 50.0 108.947 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -138.05 -28.62 0.86 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.358 -1.292 . . . . 50.0 108.645 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -133.75 162.76 31.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.67 -1.604 . . . . 25.0 106.67 173.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -66.46 -27.14 67.58 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.02 -1.05 . . . . 50.0 110.787 -177.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.3 t -68.35 -7.78 34.23 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 112.57 0.582 . . . . 50.0 112.57 -177.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -80.52 -8.53 59.61 Favored 'General case' 0 C--O 1.248 1.014 0 N-CA-C 109.106 -0.701 . . . . 50.0 109.106 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 70.8 m -112.24 170.82 7.9 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 122.041 0.924 . . . . 50.0 112.039 -176.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.6 mt -74.78 157.64 34.84 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.736 -0.838 . . . . 50.0 108.736 176.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 129.97 43.42 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.06 1.45 59.63 Favored Glycine 0 CA--C 1.518 0.22 0 CA-C-N 115.122 -0.945 . . . . 50.0 113.389 -176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 62.8 m -118.08 162.32 18.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 105.367 -2.086 . . . . 50.0 105.367 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.62 164.58 34.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 C-N-CA 123.179 0.591 . . . . 50.0 111.19 -176.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.8 t -105.09 119.58 39.38 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.529 -0.915 . . . . 75.0 108.529 174.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -89.84 171.37 37.51 Favored Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 115.465 0.946 . . . . 50.0 115.465 -176.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -61.66 -14.87 38.38 Favored 'Trans proline' 0 C--O 1.215 -0.666 0 C-N-CA 122.862 2.375 . . . . 50.0 114.559 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -85.58 -3.96 59.02 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.099 -0.5 . . . . 50.0 111.372 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.47 20.55 71.56 Favored Glycine 0 C--N 1.32 -0.32 0 N-CA-C 110.62 -0.992 . . . . 25.0 110.62 -175.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -128.03 145.9 50.84 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.253 -0.647 . . . . 50.0 109.253 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.2 t -76.66 155.08 33.68 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.124 -1.398 . . . . 25.0 109.894 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.681 0 CA-C-O 118.006 -1.441 . . . . 50.0 109.709 176.337 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.769 0 N-CA-C 111.553 -0.619 . . . . 50.0 111.553 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 95.4 m -56.6 142.97 69.45 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 112.901 0.704 . . . . 50.0 112.901 -175.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.19 140.1 19.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 116.916 -1.589 . . . . 50.0 112.586 -177.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 42.45 63.01 7.49 Favored Pre-proline 0 N--CA 1.481 1.097 0 N-CA-C 113.404 0.89 . . . . 50.0 113.404 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -70.81 152.55 63.96 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 117.88 -0.946 . . . . 50.0 112.827 -176.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -68.58 -42.67 77.93 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.077 -0.51 . . . . 50.0 112.238 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.75 -24.74 5.64 Favored Glycine 0 C--O 1.216 -0.988 0 C-N-CA 121.614 -0.327 . . . . 50.0 113.29 -175.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -100.47 20.75 14.35 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.66 1.184 . . . . 25.0 110.407 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.7 148.46 67.34 Favored Pre-proline 0 CA--C 1.539 0.533 0 O-C-N 121.238 -0.914 . . . . 50.0 110.081 -173.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -77.87 160.56 30.65 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 121.118 1.212 . . . . 50.0 112.842 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -72.51 152.92 54.89 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 116.336 -1.976 . . . . 50.0 112.343 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -102.9 155.26 18.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.72 -0.845 . . . . 50.0 108.72 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.3 p -80.71 156.77 26.11 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.939 -0.393 . . . . 25.0 109.939 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.1 p -155.28 164.32 38.94 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.267 -1.383 . . . . 50.0 107.267 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.85 -15.44 3.03 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.702 -0.851 . . . . 50.0 108.702 174.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -145.98 162.74 37.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 105.032 -2.21 . . . . 25.0 105.032 174.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -71.72 -25.63 62.15 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.111 0.481 . . . . 50.0 109.746 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -11.82 14.12 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 114.392 1.256 . . . . 50.0 114.392 177.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -78.89 -10.03 59.68 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.115 0.483 . . . . 50.0 110.403 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.2 m -122.91 -178.61 3.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.42 0.628 . . . . 50.0 112.221 -173.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.6 mt -67.41 150.53 48.8 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.135 -0.691 . . . . 50.0 109.135 177.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.45 130.17 45.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 174.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.89 -30.32 8.83 Favored Glycine 0 C--O 1.23 -0.11 0 N-CA-C 110.772 -0.931 . . . . 50.0 110.772 -176.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m -71.78 161.76 30.47 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 106.917 -1.512 . . . . 50.0 106.917 173.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.8 151.21 34.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 107.152 -1.425 . . . . 50.0 107.152 173.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.9 t -94.64 124.13 38.5 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.125 -1.435 . . . . 50.0 107.125 176.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.88 166.37 31.21 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.728 -0.749 . . . . 50.0 113.424 -175.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -61.41 -15.47 41.02 Favored 'Trans proline' 0 C--O 1.22 -0.391 0 C-N-CA 123.682 2.922 . . . . 50.0 115.333 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -85.55 0.8 51.42 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 111.817 0.302 . . . . 50.0 111.817 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.33 20.05 70.35 Favored Glycine 0 C--O 1.225 -0.415 0 C-N-CA 120.74 -0.743 . . . . 25.0 111.479 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -128.83 145.24 51.25 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.366 -0.605 . . . . 50.0 109.366 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 t -87.1 154.99 20.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.464 -0.789 . . . . 25.0 110.952 -175.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.146 0 CA-C-O 119.594 -0.559 . . . . 50.0 113.655 178.328 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.141 0 N-CA-C 110.3 -0.259 . . . . 25.0 110.3 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.6 p -80.21 160.15 25.71 Favored 'General case' 0 C--O 1.27 2.149 0 N-CA-C 113.237 0.828 . . . . 25.0 113.237 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.2 p -151.72 173.19 15.01 Favored 'General case' 0 C--O 1.251 1.137 0 O-C-N 124.711 1.257 . . . . 25.0 108.238 172.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.63 -21.64 0.9 Allowed 'General case' 0 C--O 1.244 0.799 0 C-N-CA 123.089 0.555 . . . . 25.0 109.939 170.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 174.153 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--O 1.216 -0.697 0 N-CA-C 107.342 -1.355 . . . . 25.0 107.342 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.97 141.46 49.58 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 174.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.56 -20.58 47.64 Favored Glycine 0 C--N 1.346 1.108 0 N-CA-C 114.758 0.663 . . . . 25.0 114.758 -174.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.2 m -98.64 160.58 14.18 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 106.482 -1.673 . . . . 25.0 106.482 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.1 m -133.66 168.62 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.3 t -109.56 122.92 48.52 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 120.906 -0.317 . . . . 25.0 111.214 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.86 179.91 38.56 Favored Glycine 0 CA--C 1.533 1.169 0 N-CA-C 116.681 1.432 . . . . 25.0 116.681 -173.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.62 -14.89 22.0 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 N-CA-C 116.115 1.544 . . . . 25.0 116.115 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -87.82 -0.15 56.57 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 118.453 0.569 . . . . 25.0 109.642 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.9 19.25 68.03 Favored Glycine 0 N--CA 1.469 0.842 0 CA-C-O 122.032 0.796 . . . . 25.0 111.693 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -120.27 146.12 46.4 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.0 t -76.79 148.7 36.46 Favored 'General case' 0 C--O 1.208 -1.093 0 O-C-N 124.724 1.265 . . . . 25.0 109.597 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.849 0 N-CA-C 110.19 -1.164 . . . . 50.0 110.19 -177.49 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.257 1.489 0 CA-C-O 120.947 0.403 . . . . 25.0 110.908 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -79.21 156.07 28.33 Favored 'General case' 0 C--O 1.277 2.513 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 p -149.65 170.5 18.55 Favored 'General case' 0 C--O 1.25 1.097 0 O-C-N 125.127 1.517 . . . . 25.0 109.738 171.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.95 -20.91 0.79 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 109.036 -0.727 . . . . 25.0 109.036 174.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 . . . . . 0 CA--C 1.553 1.082 0 N-CA-C 104.748 -2.315 . . . . 25.0 104.748 172.129 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--O 1.201 -1.465 0 CA-C-O 122.01 0.909 . . . . 25.0 108.559 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.42 133.6 56.24 Favored 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 108.142 -1.059 . . . . 25.0 108.142 174.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.52 -4.75 73.41 Favored Glycine 0 C--N 1.353 1.489 0 CA-C-O 119.619 -0.545 . . . . 25.0 113.452 -174.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.7 m -125.42 155.34 40.57 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 105.849 -1.908 . . . . 25.0 105.849 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -136.65 167.34 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 -175.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.0 t -101.69 127.62 48.36 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.31 168.51 25.64 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.011 -1.09 . . . . 25.0 112.489 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -59.12 -21.18 58.06 Favored 'Trans proline' 0 N--CA 1.489 1.226 0 N-CA-C 116.386 1.649 . . . . 25.0 116.386 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -80.99 -4.31 54.65 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-O 118.831 -0.604 . . . . 25.0 110.805 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.23 22.2 55.1 Favored Glycine 0 N--CA 1.474 1.169 0 CA-C-N 119.421 1.01 . . . . 25.0 110.745 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -129.83 144.88 51.53 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.231 -1.025 . . . . 25.0 108.231 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 t -71.14 152.71 43.15 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 123.89 0.876 . . . . 25.0 109.728 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.958 0 N-CA-C 107.353 -2.299 . . . . 50.0 107.353 -179.516 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.238 0.486 0 CA-C-O 120.638 0.256 . . . . 25.0 110.531 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.71 151.66 23.68 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 122.787 0.435 . . . . 25.0 110.206 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.1 p -148.57 162.03 40.48 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 175.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.61 -5.41 3.68 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 123.559 0.744 . . . . 25.0 110.182 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 . . . . . 0 C--N 1.324 -0.532 0 N-CA-C 103.725 -2.694 . . . . 25.0 103.725 176.802 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.6 mt . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 106.688 -1.597 . . . . 25.0 106.688 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.73 128.87 38.71 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.978 -1.119 . . . . 25.0 107.978 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.05 -2.74 55.27 Favored Glycine 0 C--N 1.333 0.394 0 N-CA-C 111.178 -0.769 . . . . 25.0 111.178 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.9 m -121.01 155.27 34.69 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 106.945 -1.502 . . . . 25.0 106.945 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.66 167.4 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.933 0.397 . . . . 25.0 110.605 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.4 t -102.06 118.71 37.47 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 108.128 -1.064 . . . . 25.0 108.128 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.67 177.39 51.28 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 115.046 0.779 . . . . 25.0 115.046 -174.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.29 -10.0 25.08 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 N-CA-C 115.347 1.249 . . . . 25.0 115.347 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -93.45 0.66 56.86 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.036 -0.529 . . . . 25.0 110.869 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.9 20.52 75.96 Favored Glycine 0 C--O 1.241 0.535 0 C-N-CA 120.838 -0.696 . . . . 25.0 112.288 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -116.22 145.9 42.76 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.5 t -72.32 148.44 45.35 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.873 0 CA-C-O 117.809 -1.55 . . . . 50.0 110.72 178.85 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 C--O 1.254 1.331 0 N-CA-C 111.624 0.231 . . . . 25.0 111.624 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 p -81.54 156.13 25.39 Favored 'General case' 0 C--O 1.27 2.133 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 21.0 p -141.49 171.19 14.4 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 125.094 1.497 . . . . 25.0 110.834 173.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.34 -23.96 0.73 Allowed 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 171.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 105.023 -2.214 . . . . 25.0 105.023 171.56 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 N--CA 1.444 -0.767 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.05 128.28 36.03 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 107.521 -1.289 . . . . 25.0 107.521 175.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.03 -10.26 58.41 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 124.134 0.896 . . . . 25.0 114.136 -172.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.7 m -111.23 160.62 16.81 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 104.617 -2.364 . . . . 25.0 104.617 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.4 m -129.54 174.29 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.5 t -121.65 122.68 40.14 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 118.635 -0.698 . . . . 25.0 109.246 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -108.73 179.0 21.19 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 122.95 1.306 . . . . 25.0 115.796 -174.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -62.37 -15.07 42.69 Favored 'Trans proline' 0 C--O 1.201 -1.354 0 N-CA-C 116.669 1.757 . . . . 25.0 116.669 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -80.85 -4.62 55.41 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-N 119.22 0.918 . . . . 25.0 108.853 177.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.02 18.69 76.34 Favored Glycine 0 C--O 1.25 1.116 0 CA-C-O 122.301 0.945 . . . . 25.0 111.56 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -123.69 143.15 50.45 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 109.006 -0.738 . . . . 25.0 109.006 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 21.7 m -67.21 143.96 56.24 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 105.785 -1.931 . . . . 25.0 105.785 175.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.218 0 CA-C-O 118.378 -1.235 . . . . 50.0 110.164 -176.45 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.26 1.618 0 N-CA-C 108.856 -0.794 . . . . 25.0 108.856 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 p -76.77 154.46 33.99 Favored 'General case' 0 C--O 1.272 2.288 0 O-C-N 121.92 -0.488 . . . . 25.0 110.416 175.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.3 p -150.63 161.61 42.25 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 124.561 1.163 . . . . 25.0 109.077 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.32 -20.39 3.01 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 173.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 . . . . . 0 CA--C 1.555 1.139 0 N-CA-C 103.485 -2.783 . . . . 25.0 103.485 171.628 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.437 -1.11 0 CA-C-O 122.542 1.163 . . . . 25.0 108.065 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 137.57 57.89 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 121.604 -0.685 . . . . 25.0 109.71 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.1 -5.8 84.35 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-N 115.071 -0.968 . . . . 25.0 114.729 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.4 m -113.41 161.63 17.08 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.181 -1.785 . . . . 25.0 106.181 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -132.67 170.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.9 t -109.37 150.37 28.14 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.04 170.66 20.09 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.416 -0.897 . . . . 25.0 113.282 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.32 -17.08 38.0 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 N-CA-C 117.14 1.938 . . . . 25.0 117.14 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -70.36 -17.68 63.05 Favored 'General case' 0 C--O 1.261 1.674 0 CA-C-N 118.148 0.431 . . . . 25.0 110.066 175.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.33 17.51 60.53 Favored Glycine 0 N--CA 1.472 1.038 0 CA-C-O 122.868 1.26 . . . . 25.0 111.7 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -133.62 147.68 51.49 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 107.116 -1.438 . . . . 25.0 107.116 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.1 t -70.3 151.45 45.27 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 124.95 1.406 . . . . 25.0 111.62 -175.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.771 0 N-CA-C 109.24 -1.544 . . . . 50.0 109.24 -179.796 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.266 1.97 0 CA-C-O 121.066 0.46 . . . . 25.0 111.898 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -89.86 152.26 21.35 Favored 'General case' 0 C--O 1.272 2.238 0 CA-C-N 115.83 -0.623 . . . . 25.0 111.278 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.3 p -149.05 165.48 31.57 Favored 'General case' 0 C--O 1.258 1.539 0 O-C-N 124.255 0.972 . . . . 25.0 109.889 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.49 -5.57 3.73 Favored 'General case' 0 C--O 1.256 1.399 0 CA-C-O 120.759 0.314 . . . . 25.0 111.077 174.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 . . . . . 0 CA--C 1.561 1.368 0 N-CA-C 105.635 -1.987 . . . . 25.0 105.635 174.408 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--O 1.216 -0.693 0 CA-C-O 122.534 1.159 . . . . 25.0 108.537 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.45 140.28 56.34 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.54 -3.5 85.16 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-O 118.867 -0.963 . . . . 25.0 114.658 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m -118.17 158.44 25.09 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 106.958 -1.497 . . . . 25.0 106.958 -177.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -133.44 172.24 16.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 106.366 -1.716 . . . . 25.0 106.366 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.9 t -110.73 133.06 53.67 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.9 175.65 24.27 Favored Glycine 0 N--CA 1.432 -1.579 0 N-CA-C 115.712 1.045 . . . . 25.0 115.712 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.89 -16.63 50.66 Favored 'Trans proline' 0 C--O 1.199 -1.468 0 N-CA-C 117.358 2.022 . . . . 25.0 117.358 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -85.71 -2.09 57.85 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-O 118.842 -0.599 . . . . 25.0 110.173 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.33 19.41 71.82 Favored Glycine 0 N--CA 1.472 1.077 0 CA-C-N 119.284 0.947 . . . . 25.0 111.883 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -123.77 149.37 45.71 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 106.45 -1.685 . . . . 25.0 106.45 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.8 t -70.95 148.37 47.76 Favored 'General case' 0 CA--C 1.519 -0.25 0 O-C-N 124.584 1.177 . . . . 25.0 109.211 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.172 0 CA-C-O 118.086 -1.397 . . . . 50.0 110.276 178.633 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--O 1.254 1.317 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.95 157.84 29.56 Favored 'General case' 0 C--O 1.272 2.245 0 O-C-N 122.257 -0.277 . . . . 25.0 111.674 174.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.428 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 30.8 p -142.51 164.92 28.81 Favored 'General case' 0 C--O 1.251 1.174 0 O-C-N 124.37 1.044 . . . . 25.0 112.079 173.163 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -140.71 -9.26 1.06 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 . . . . . 0 CA--C 1.553 1.094 0 N-CA-C 106.177 -1.786 . . . . 25.0 106.177 169.895 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.9 mt . . . . . 0 N--CA 1.443 -0.783 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.97 134.34 31.96 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 108.171 -1.048 . . . . 25.0 108.171 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.7 -14.66 60.34 Favored Glycine 0 C--N 1.341 0.813 0 N-CA-C 115.659 1.024 . . . . 25.0 115.659 -174.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 m -119.37 149.82 41.19 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 106.278 -1.749 . . . . 25.0 106.278 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.9 m -125.69 168.48 18.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.7 t -93.18 119.55 32.5 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.968 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.07 179.03 40.82 Favored Glycine 0 C--O 1.247 0.955 0 CA-C-O 122.875 1.264 . . . . 25.0 115.703 -174.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -75.26 -12.48 21.02 Favored 'Trans proline' 0 N--CA 1.502 1.993 0 N-CA-C 114.994 1.113 . . . . 25.0 114.994 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -82.98 -5.58 59.14 Favored 'General case' 0 C--O 1.255 1.348 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.28 19.25 59.16 Favored Glycine 0 N--CA 1.468 0.828 0 CA-C-O 122.021 0.789 . . . . 25.0 111.428 -177.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -127.59 144.74 51.04 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.299 0.639 . . . . 25.0 109.999 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 16.0 m -69.71 143.16 53.17 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 107.138 -1.43 . . . . 25.0 107.138 177.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.869 0 N-CA-C 110.327 -1.109 . . . . 50.0 110.327 -175.192 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--O 1.245 0.841 0 N-CA-C 110.356 -0.238 . . . . 25.0 110.356 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.31 147.41 29.9 Favored 'General case' 0 C--O 1.271 2.233 0 N-CA-C 113.0 0.741 . . . . 25.0 113.0 -177.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.2 p -144.3 171.68 13.98 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 124.349 1.031 . . . . 25.0 109.539 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.27 -16.61 1.21 Allowed 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 172.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 . . . . . 0 CA--C 1.56 1.338 0 N-CA-C 104.036 -2.579 . . . . 25.0 104.036 171.199 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 108.074 -1.084 . . . . 25.0 108.074 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.31 134.83 55.45 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 106.597 -1.631 . . . . 25.0 106.597 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.78 -11.88 69.27 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-N 116.07 -0.514 . . . . 25.0 114.314 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.42 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 81.8 m -93.24 168.22 11.23 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 106.842 -1.54 . . . . 25.0 106.842 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 m -131.8 171.15 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 174.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.2 t -114.9 120.73 40.95 Favored 'General case' 0 CA--C 1.558 1.278 0 N-CA-C 106.0 -1.852 . . . . 25.0 106.0 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.87 177.73 33.04 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-O 123.476 1.598 . . . . 25.0 115.889 -172.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.05 -14.26 42.41 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 N-CA-C 115.916 1.468 . . . . 25.0 115.916 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -83.04 -6.62 59.56 Favored 'General case' 0 C--O 1.259 1.562 0 O-C-N 123.556 0.535 . . . . 25.0 110.128 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.12 22.11 66.31 Favored Glycine 0 N--CA 1.472 1.05 0 N-CA-C 110.546 -1.021 . . . . 25.0 110.546 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -127.39 145.71 50.72 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 106.788 -1.56 . . . . 25.0 106.788 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 49.2 t -68.99 141.19 54.98 Favored 'General case' 0 C--O 1.209 -1.04 0 C-N-CA 124.851 1.26 . . . . 25.0 108.8 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.74 0 CA-C-O 117.942 -1.477 . . . . 50.0 109.45 174.945 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.27 2.159 0 CA-C-O 119.819 -0.134 . . . . 25.0 110.949 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.7 p -80.94 149.72 29.28 Favored 'General case' 0 C--O 1.278 2.604 0 O-C-N 121.843 -0.536 . . . . 25.0 111.171 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -148.57 173.05 13.56 Favored 'General case' 0 C--O 1.255 1.394 0 O-C-N 123.92 0.762 . . . . 25.0 109.487 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.58 -21.22 0.74 Allowed 'General case' 0 C--O 1.242 0.661 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 170.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 . . . . . 0 CA--C 1.546 0.811 0 N-CA-C 106.142 -1.799 . . . . 25.0 106.142 172.759 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.44 -0.97 0 N-CA-C 106.177 -1.786 . . . . 25.0 106.177 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.36 143.38 53.19 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 106.694 -1.595 . . . . 25.0 106.694 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.57 -1.75 87.24 Favored Glycine 0 N--CA 1.472 1.095 0 N-CA-C 115.731 1.052 . . . . 25.0 115.731 -175.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.0 m -121.21 161.57 21.67 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.9 m -132.36 167.13 27.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 N-CA-C 109.548 -0.538 . . . . 25.0 109.548 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.1 t -99.79 129.02 45.86 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-O 118.67 -0.681 . . . . 25.0 111.156 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.58 176.86 35.55 Favored Glycine 0 CA--C 1.537 1.426 0 CA-C-O 123.1 1.389 . . . . 25.0 114.938 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.81 -12.65 26.53 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 N-CA-C 115.139 1.169 . . . . 25.0 115.139 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -89.85 1.44 56.18 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 121.847 -0.533 . . . . 25.0 110.451 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.26 21.64 64.55 Favored Glycine 0 N--CA 1.472 1.048 0 C-N-CA 119.864 -1.16 . . . . 25.0 111.416 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -129.52 147.58 51.34 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 106.637 -1.616 . . . . 25.0 106.637 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.57 155.35 40.15 Favored 'General case' 0 CA--C 1.518 -0.279 0 O-C-N 124.945 1.403 . . . . 25.0 110.447 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.433 0 N-CA-C 108.826 -1.71 . . . . 50.0 108.826 -177.944 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.261 1.71 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 p -82.55 155.95 24.24 Favored 'General case' 0 C--O 1.274 2.394 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -150.97 169.66 21.22 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.506 1.129 . . . . 25.0 108.442 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 t -141.33 -18.49 0.79 Allowed 'General case' 0 C--N 1.347 0.471 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 171.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 . . . . . 0 CA--C 1.564 1.486 0 N-CA-C 103.086 -2.931 . . . . 25.0 103.086 169.001 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 CA--C 1.535 0.376 0 CA-C-O 122.443 1.116 . . . . 25.0 109.49 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.67 121.6 12.65 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.69 -10.92 35.32 Favored Glycine 0 C--N 1.347 1.168 0 N-CA-C 115.509 0.964 . . . . 25.0 115.509 -173.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.502 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 78.8 m -101.24 164.41 11.8 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -127.21 170.21 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.4 t -111.55 124.6 52.62 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.74 177.14 38.55 Favored Glycine 0 C--O 1.248 0.997 0 CA-C-O 123.201 1.445 . . . . 25.0 116.131 -174.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.38 -9.41 23.01 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 N-CA-C 114.83 1.05 . . . . 25.0 114.83 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -88.87 -1.98 58.36 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 108.264 -1.013 . . . . 25.0 108.264 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.89 17.97 68.83 Favored Glycine 0 N--CA 1.472 1.067 0 CA-C-N 119.215 0.916 . . . . 25.0 111.795 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -123.27 145.77 48.41 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 43.7 t -65.83 148.14 52.25 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 125.212 1.57 . . . . 25.0 108.705 177.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.832 0 CA-C-O 117.961 -1.466 . . . . 50.0 110.313 -177.912 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.252 1.223 0 N-CA-C 107.453 -1.314 . . . . 25.0 107.453 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -82.52 157.05 23.7 Favored 'General case' 0 C--O 1.272 2.243 0 O-C-N 121.995 -0.441 . . . . 25.0 111.261 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.6 p -150.43 165.97 31.55 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 124.609 1.193 . . . . 25.0 109.854 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.35 -13.36 3.9 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.422 0.451 . . . . 25.0 110.242 176.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 . . . . . 0 CA--C 1.551 1.011 0 N-CA-C 105.774 -1.936 . . . . 25.0 105.774 173.301 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 122.368 1.08 . . . . 25.0 108.226 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.84 135.35 57.28 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 106.251 -1.759 . . . . 25.0 106.251 173.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.17 -9.08 69.99 Favored Glycine 0 C--N 1.351 1.363 0 N-CA-C 114.582 0.593 . . . . 25.0 114.582 -174.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.3 m -117.64 158.24 24.99 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 107.443 -1.318 . . . . 25.0 107.443 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.1 m -130.55 166.88 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 108.328 -0.99 . . . . 25.0 108.328 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.1 t -102.35 134.56 45.45 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 175.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -103.15 172.65 21.66 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 119.948 -1.12 . . . . 25.0 114.383 -175.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -62.5 -19.86 68.89 Favored 'Trans proline' 0 N--CA 1.49 1.315 0 C-N-CA 120.647 0.898 . . . . 25.0 113.533 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -72.42 -14.17 61.63 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 123.83 0.706 . . . . 25.0 110.594 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.83 12.94 76.3 Favored Glycine 0 C--O 1.247 0.939 0 CA-C-O 122.375 0.986 . . . . 25.0 111.102 -176.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -122.44 147.87 45.8 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.7 t -73.54 149.53 42.13 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 125.348 1.655 . . . . 25.0 109.792 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.079 -1.401 . . . . 50.0 111.878 -177.4 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.253 1.244 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 p -86.18 150.58 24.3 Favored 'General case' 0 C--O 1.262 1.729 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.2 p -147.07 166.57 26.5 Favored 'General case' 0 C--O 1.25 1.085 0 O-C-N 125.062 1.476 . . . . 25.0 110.005 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.63 -9.33 2.45 Favored 'General case' 0 C--O 1.252 1.221 0 N-CA-C 109.257 -0.646 . . . . 25.0 109.257 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 105.327 -2.101 . . . . 25.0 105.327 175.117 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--O 1.208 -1.092 0 CA-C-O 122.142 0.972 . . . . 25.0 108.612 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.68 131.98 50.77 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 106.126 -1.805 . . . . 25.0 106.126 173.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.89 -8.56 65.57 Favored Glycine 0 N--CA 1.476 1.337 0 C-N-CA 120.549 -0.834 . . . . 25.0 115.053 -172.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.7 m -118.47 151.8 37.13 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 103.534 -2.765 . . . . 25.0 103.534 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.13 161.32 41.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.8 t -103.22 125.5 49.92 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.12 178.73 26.99 Favored Glycine 0 N--CA 1.432 -1.586 0 CA-C-O 122.967 1.315 . . . . 25.0 116.301 -174.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -64.6 -15.94 52.63 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.789 2.326 . . . . 25.0 116.158 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -87.17 -1.63 58.03 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.79 15.71 78.76 Favored Glycine 0 N--CA 1.467 0.72 0 N-CA-C 110.526 -1.03 . . . . 25.0 110.526 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -121.25 149.79 42.34 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 t -78.23 150.57 33.43 Favored 'General case' 0 C--O 1.221 -0.433 0 O-C-N 124.83 1.332 . . . . 25.0 108.947 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.143 -1.365 . . . . 50.0 111.422 -179.594 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.079 0.466 . . . . 25.0 110.806 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 p -80.98 149.05 29.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.743 -0.662 . . . . 25.0 109.553 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.2 p -150.92 168.32 24.88 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.518 -1.29 . . . . 25.0 107.518 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.17 -27.55 1.59 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 176.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 . . . . . 0 C--N 1.326 -0.437 0 N-CA-C 106.092 -1.818 . . . . 25.0 106.092 173.457 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 107.118 -1.438 . . . . 25.0 107.118 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.89 133.91 56.56 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.86 1.15 60.02 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.979 -0.629 . . . . 25.0 112.042 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.3 m -121.98 163.23 19.69 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.823 -1.547 . . . . 25.0 106.823 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.3 m -133.34 164.59 34.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 38.4 t -94.39 127.33 40.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 175.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.1 169.31 33.3 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 121.312 -0.471 . . . . 25.0 112.788 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.38 -16.54 42.1 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.443 2.762 . . . . 25.0 115.551 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -87.08 0.28 55.5 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.935 -0.478 . . . . 25.0 111.664 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.57 20.14 69.51 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.78 -0.928 . . . . 25.0 110.78 -177.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -128.03 147.94 50.53 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.248 -0.649 . . . . 25.0 109.248 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.2 t -75.93 158.32 32.15 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.284 -0.416 . . . . 25.0 111.444 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 111.499 -0.64 . . . . 50.0 111.499 176.545 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--O 1.247 0.966 0 N-CA-C 110.311 -0.255 . . . . 25.0 110.311 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.0 p -84.81 158.32 20.71 Favored 'General case' 0 C--O 1.268 2.028 0 CA-C-O 119.225 -0.417 . . . . 25.0 111.154 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.6 p -152.92 167.03 30.48 Favored 'General case' 0 C--O 1.247 0.943 0 O-C-N 124.6 1.188 . . . . 25.0 110.573 175.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.75 -13.11 2.58 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 173.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 . . . . . 0 C--N 1.316 -0.879 0 N-CA-C 105.906 -1.887 . . . . 25.0 105.906 175.524 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 C--O 1.212 -0.883 0 N-CA-C 108.354 -0.98 . . . . 25.0 108.354 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 126.57 27.85 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 105.947 -1.872 . . . . 25.0 105.947 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.86 -4.6 53.15 Favored Glycine 0 N--CA 1.472 1.058 0 N-CA-C 115.056 0.783 . . . . 25.0 115.056 -174.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.5 m -121.96 159.32 27.18 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 102.996 -2.965 . . . . 25.0 102.996 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.41 167.62 24.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 118.685 0.675 . . . . 25.0 109.818 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.8 t -102.75 125.0 49.32 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 117.887 0.312 . . . . 25.0 111.228 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -95.37 -179.82 36.54 Favored Glycine 0 CA--C 1.537 1.453 0 CA-C-O 123.041 1.356 . . . . 25.0 114.258 -176.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -75.34 -6.76 18.21 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 N-CA-C 115.741 1.4 . . . . 25.0 115.741 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -88.12 -4.55 58.74 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.8 21.15 69.28 Favored Glycine 0 N--CA 1.471 0.984 0 O-C-N 121.025 -1.047 . . . . 25.0 110.57 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -127.42 146.12 50.59 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 107.2 -1.407 . . . . 25.0 107.2 176.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.6 t -72.68 148.68 44.5 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 124.15 0.906 . . . . 25.0 108.737 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.867 0 N-CA-C 109.15 -1.58 . . . . 50.0 109.15 -177.09 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.327 0 CA-C-O 119.727 -0.178 . . . . 25.0 110.833 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.5 p -78.87 151.49 31.77 Favored 'General case' 0 C--O 1.27 2.141 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.7 p -150.69 170.25 19.64 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 123.879 0.737 . . . . 25.0 110.452 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.6 -15.39 1.61 Allowed 'General case' 0 C--O 1.241 0.616 0 N-CA-C 110.176 -0.305 . . . . 25.0 110.176 170.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 . . . . . 0 CA--C 1.558 1.257 0 N-CA-C 102.729 -3.063 . . . . 25.0 102.729 172.724 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--O 1.215 -0.733 0 N-CA-C 107.202 -1.407 . . . . 25.0 107.202 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.65 130.77 46.48 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 105.965 -1.865 . . . . 25.0 105.965 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.53 -14.5 65.15 Favored Glycine 0 C--N 1.35 1.337 0 N-CA-C 115.818 1.087 . . . . 25.0 115.818 -176.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.445 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 33.3 m -87.13 166.19 15.17 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 105.289 -2.115 . . . . 25.0 105.289 176.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.13 174.03 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 120.368 -0.533 . . . . 25.0 110.2 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.4 t -121.31 118.29 29.14 Favored 'General case' 0 N--CA 1.44 -0.971 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.24 177.3 42.6 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 123.031 1.351 . . . . 25.0 113.085 -176.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.09 -13.89 26.02 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 N-CA-C 114.746 1.018 . . . . 25.0 114.746 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -76.67 -3.95 40.63 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 176.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.97 19.25 70.5 Favored Glycine 0 N--CA 1.473 1.147 0 O-C-N 120.842 -1.161 . . . . 25.0 112.305 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -127.09 145.91 50.56 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 37.2 t -70.27 143.44 52.1 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 114.238 -1.346 . . . . 25.0 110.862 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.667 -1.074 . . . . 50.0 111.13 177.709 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.255 1.392 0 CA-C-O 120.205 0.05 . . . . 25.0 111.027 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.5 p -78.88 158.25 28.13 Favored 'General case' 0 C--O 1.272 2.251 0 N-CA-C 112.125 0.417 . . . . 25.0 112.125 -177.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 p -150.28 163.4 38.4 Favored 'General case' 0 C--O 1.253 1.273 0 O-C-N 124.752 1.282 . . . . 25.0 111.152 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.14 -21.45 1.62 Allowed 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 177.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 . . . . . 0 CA--C 1.562 1.428 0 N-CA-C 105.553 -2.017 . . . . 25.0 105.553 171.109 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--O 1.211 -0.954 0 N-CA-C 106.325 -1.732 . . . . 25.0 106.325 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.74 129.15 38.96 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 105.049 -2.204 . . . . 25.0 105.049 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.19 -8.22 62.65 Favored Glycine 0 N--CA 1.472 1.085 0 O-C-N 124.307 1.005 . . . . 25.0 114.492 -173.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.1 m -114.33 154.15 28.54 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 103.041 -2.948 . . . . 25.0 103.041 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 m -133.89 164.9 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 CA-C-N 118.738 0.699 . . . . 25.0 111.159 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.9 t -101.69 113.84 27.36 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-N 116.307 -0.406 . . . . 25.0 111.74 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.33 177.38 42.5 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-O 123.186 1.437 . . . . 25.0 116.626 -172.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -63.1 -17.61 60.99 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 N-CA-C 116.923 1.855 . . . . 25.0 116.923 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -82.59 -7.27 59.65 Favored 'General case' 0 C--O 1.251 1.176 0 N-CA-C 108.781 -0.822 . . . . 25.0 108.781 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.92 17.84 64.54 Favored Glycine 0 N--CA 1.471 0.967 0 CA-C-O 122.749 1.194 . . . . 25.0 112.159 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -126.61 147.33 49.91 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 107.774 -1.195 . . . . 25.0 107.774 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 t -74.3 148.69 41.18 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 114.161 -1.381 . . . . 25.0 109.598 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.336 0 N-CA-C 110.732 -0.947 . . . . 50.0 110.732 -179.55 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.263 1.77 0 CA-C-O 121.237 0.541 . . . . 25.0 112.314 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.7 p -93.51 164.0 13.35 Favored 'General case' 0 C--O 1.258 1.52 0 N-CA-C 112.932 0.715 . . . . 25.0 112.932 -177.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.7 p -154.23 159.27 41.25 Favored 'General case' 0 C--O 1.26 1.635 0 N-CA-C 108.883 -0.784 . . . . 25.0 108.883 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.34 -12.4 7.32 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 121.243 0.544 . . . . 25.0 109.58 176.17 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 . . . . . 0 CA--C 1.558 1.263 0 N-CA-C 105.274 -2.121 . . . . 25.0 105.274 174.242 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 C--O 1.209 -1.058 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.87 124.49 20.33 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 121.291 -0.881 . . . . 25.0 109.036 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.8 -10.27 66.28 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 116.407 1.323 . . . . 25.0 116.407 -175.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -104.98 159.55 15.72 Favored 'General case' 0 CA--C 1.499 -1.007 0 N-CA-C 107.157 -1.423 . . . . 25.0 107.157 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.6 m -129.51 166.68 26.48 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 108.328 -0.99 . . . . 25.0 108.328 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.2 t -94.84 132.39 39.69 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-O 119.042 -0.504 . . . . 25.0 110.475 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.92 174.1 29.89 Favored Glycine 0 C--O 1.253 1.343 0 CA-C-O 122.89 1.272 . . . . 25.0 114.611 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -76.34 -10.33 19.05 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 N-CA-C 115.23 1.204 . . . . 25.0 115.23 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -90.36 0.9 57.06 Favored 'General case' 0 C--O 1.25 1.128 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 176.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.45 11.06 75.87 Favored Glycine 0 C--O 1.249 1.044 0 CA-C-O 122.519 1.066 . . . . 25.0 113.149 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -115.2 149.68 37.31 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.41 -1.33 . . . . 25.0 107.41 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.0 t -74.49 152.13 39.44 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 107.55 -1.278 . . . . 25.0 107.55 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.886 0 N-CA-C 110.269 -1.133 . . . . 50.0 110.269 -176.897 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 N--CA 1.464 0.234 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.1 p -77.97 153.68 32.25 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.415 -0.957 . . . . 25.0 108.415 174.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 p -156.09 165.5 36.25 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.385 -0.969 . . . . 25.0 108.385 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.24 -17.38 3.03 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.829 -0.623 . . . . 25.0 109.544 174.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 . . . . . 0 C--N 1.325 -0.494 0 N-CA-C 104.845 -2.28 . . . . 25.0 104.845 175.334 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 CA--C 1.52 -0.208 0 N-CA-C 108.054 -1.091 . . . . 25.0 108.054 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.86 133.37 54.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.18 -15.45 30.52 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 110.442 -1.063 . . . . 25.0 110.442 -175.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 m -113.84 164.99 13.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.988 -1.116 . . . . 25.0 107.988 175.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -136.09 167.67 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.0 t -100.5 130.0 46.52 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 175.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -97.46 169.07 24.5 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.876 -0.678 . . . . 25.0 112.956 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -60.16 -16.49 40.4 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 124.173 3.249 . . . . 25.0 115.58 -177.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -84.45 -1.51 55.76 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.574 -0.285 . . . . 25.0 111.717 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.19 19.05 70.38 Favored Glycine 0 N--CA 1.459 0.217 0 N-CA-C 110.457 -1.057 . . . . 25.0 110.457 -176.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -128.6 149.14 50.77 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 t -72.24 162.34 29.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.807 -1.088 . . . . 25.0 111.056 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 CA-C-O 117.784 -1.564 . . . . 50.0 109.806 177.665 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 109.013 -0.736 . . . . 25.0 109.013 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -81.08 152.93 27.61 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.786 -0.188 . . . . 25.0 111.217 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 p -154.96 170.37 21.89 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-O 122.444 1.116 . . . . 25.0 108.947 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -138.05 -28.62 0.86 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.358 -1.292 . . . . 25.0 108.645 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 106.67 -1.604 . . . . 25.0 106.67 173.171 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 129.97 43.42 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.06 1.45 59.63 Favored Glycine 0 CA--C 1.518 0.22 0 CA-C-N 115.122 -0.945 . . . . 25.0 113.389 -176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 62.8 m -118.08 162.32 18.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 105.367 -2.086 . . . . 25.0 105.367 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.62 164.58 34.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 C-N-CA 123.179 0.591 . . . . 25.0 111.19 -176.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.8 t -105.09 119.58 39.38 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.529 -0.915 . . . . 25.0 108.529 174.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -89.84 171.37 37.51 Favored Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 115.465 0.946 . . . . 25.0 115.465 -176.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -61.66 -14.87 38.38 Favored 'Trans proline' 0 C--O 1.215 -0.666 0 C-N-CA 122.862 2.375 . . . . 25.0 114.559 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -85.58 -3.96 59.02 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.099 -0.5 . . . . 25.0 111.372 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.47 20.55 71.56 Favored Glycine 0 C--N 1.32 -0.32 0 N-CA-C 110.62 -0.992 . . . . 25.0 110.62 -175.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -128.03 145.9 50.84 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.2 t -76.66 155.08 33.68 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.124 -1.398 . . . . 25.0 109.894 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.681 0 CA-C-O 118.006 -1.441 . . . . 50.0 109.709 176.337 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 CA--C 1.519 -0.221 0 N-CA-C 108.72 -0.845 . . . . 25.0 108.72 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.3 p -80.71 156.77 26.11 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.939 -0.393 . . . . 25.0 109.939 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.1 p -155.28 164.32 38.94 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.267 -1.383 . . . . 25.0 107.267 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.85 -15.44 3.03 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 174.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 105.032 -2.21 . . . . 25.0 105.032 174.686 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.6 mt . . . . . 0 C--O 1.223 -0.311 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.45 130.17 45.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 174.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.89 -30.32 8.83 Favored Glycine 0 C--O 1.23 -0.11 0 N-CA-C 110.772 -0.931 . . . . 25.0 110.772 -176.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m -71.78 161.76 30.47 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 173.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.8 151.21 34.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 173.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.9 t -94.64 124.13 38.5 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.125 -1.435 . . . . 25.0 107.125 176.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.88 166.37 31.21 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.728 -0.749 . . . . 25.0 113.424 -175.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -61.41 -15.47 41.02 Favored 'Trans proline' 0 C--O 1.22 -0.391 0 C-N-CA 123.682 2.922 . . . . 25.0 115.333 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -85.55 0.8 51.42 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 111.817 0.302 . . . . 25.0 111.817 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.33 20.05 70.35 Favored Glycine 0 C--O 1.225 -0.415 0 C-N-CA 120.74 -0.743 . . . . 25.0 111.479 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -128.83 145.24 51.25 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 t -87.1 154.99 20.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.464 -0.789 . . . . 25.0 110.952 -175.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.146 0 CA-C-O 119.594 -0.559 . . . . 50.0 113.655 178.328 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.841 0 N-CA-C 110.853 -0.899 . . . . 25.0 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.0 m -69.93 161.29 76.12 Favored Pre-proline 0 C--O 1.252 1.214 0 CA-C-N 118.725 1.262 . . . . 25.0 113.126 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -72.58 117.9 5.34 Favored 'Trans proline' 0 C--O 1.216 -0.604 0 C-N-CA 114.055 -3.497 . . . . 25.0 114.938 -176.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 23.98 76.59 0.24 Allowed Pre-proline 0 CA--C 1.581 2.151 0 C-N-CA 125.583 1.553 . . . . 25.0 115.099 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.1 170.51 18.63 Favored 'Trans proline' 0 CA--C 1.551 1.337 0 C-N-CA 116.356 -1.963 . . . . 25.0 112.009 177.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -145.96 154.31 41.77 Favored 'General case' 0 CA--C 1.491 -1.299 0 N-CA-C 105.698 -1.964 . . . . 25.0 105.698 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.42 11.61 60.76 Favored Glycine 0 C--O 1.208 -1.481 0 O-C-N 125.218 1.574 . . . . 25.0 111.231 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -85.68 -5.35 59.27 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -125.3 146.05 52.84 Favored Pre-proline 0 C--O 1.248 1.01 0 CA-C-N 115.556 -0.747 . . . . 25.0 110.334 -177.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.98 157.1 51.68 Favored 'Trans proline' 0 C--O 1.218 -0.491 0 C-N-CA 120.982 1.122 . . . . 25.0 112.322 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -70.38 153.19 66.28 Favored 'Trans proline' 0 CA--C 1.503 -1.045 0 C-N-CA 113.862 -3.625 . . . . 25.0 111.468 172.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.47 150.54 20.5 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 121.453 -0.779 . . . . 25.0 110.3 175.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.6 p -80.21 160.15 25.71 Favored 'General case' 0 C--O 1.27 2.149 0 N-CA-C 113.237 0.828 . . . . 25.0 113.237 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.2 p -151.72 173.19 15.01 Favored 'General case' 0 C--O 1.251 1.137 0 O-C-N 124.711 1.257 . . . . 25.0 108.238 172.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.63 -21.64 0.9 Allowed 'General case' 0 C--O 1.244 0.799 0 C-N-CA 123.089 0.555 . . . . 25.0 109.939 170.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -133.44 166.77 21.77 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 174.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.26 -29.98 71.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.347 -0.842 . . . . 25.0 112.812 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -10.38 59.71 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.099 0.778 . . . . 25.0 113.099 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -73.77 -16.89 61.15 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.668 0.667 . . . . 50.0 110.837 -177.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.9 m -107.12 177.81 4.74 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 114.869 1.433 . . . . 25.0 114.869 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.24 160.43 27.93 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 107.342 -1.355 . . . . 25.0 107.342 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.97 141.46 49.58 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 174.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.56 -20.58 47.64 Favored Glycine 0 C--N 1.346 1.108 0 N-CA-C 114.758 0.663 . . . . 25.0 114.758 -174.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.2 m -98.64 160.58 14.18 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 106.482 -1.673 . . . . 25.0 106.482 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.1 m -133.66 168.62 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.3 t -109.56 122.92 48.52 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 120.906 -0.317 . . . . 25.0 111.214 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.86 179.91 38.56 Favored Glycine 0 CA--C 1.533 1.169 0 N-CA-C 116.681 1.432 . . . . 25.0 116.681 -173.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.62 -14.89 22.0 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 N-CA-C 116.115 1.544 . . . . 25.0 116.115 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -87.82 -0.15 56.57 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 118.453 0.569 . . . . 25.0 109.642 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.9 19.25 68.03 Favored Glycine 0 N--CA 1.469 0.842 0 CA-C-O 122.032 0.796 . . . . 25.0 111.693 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -120.27 146.12 46.4 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.0 t -76.79 148.7 36.46 Favored 'General case' 0 C--O 1.208 -1.093 0 O-C-N 124.724 1.265 . . . . 25.0 109.597 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.849 0 N-CA-C 110.19 -1.164 . . . . 50.0 110.19 -177.49 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.43 0 N-CA-C 110.978 -0.849 . . . . 25.0 110.978 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 92.0 m -81.3 148.94 64.54 Favored Pre-proline 0 C--O 1.261 1.697 0 CA-C-N 118.691 1.245 . . . . 25.0 111.678 -176.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -77.12 157.28 33.96 Favored 'Trans proline' 0 C--O 1.204 -1.208 0 C-N-CA 116.709 -1.727 . . . . 25.0 116.51 -174.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.72 74.61 78.3 Favored Pre-proline 0 C--O 1.246 0.909 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 178.144 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -68.67 -22.72 37.19 Favored 'Trans proline' 0 C--N 1.373 1.822 0 N-CA-C 117.451 2.058 . . . . 25.0 117.451 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -124.8 -51.79 1.69 Allowed 'General case' 0 C--O 1.187 -2.226 0 CA-C-O 121.994 0.902 . . . . 25.0 109.104 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.56 -4.04 83.73 Favored Glycine 0 C--O 1.203 -1.799 0 N-CA-C 109.468 -1.453 . . . . 25.0 109.468 -178.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -110.76 5.67 20.93 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 122.584 1.183 . . . . 25.0 110.8 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -87.86 147.2 40.53 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-O 117.545 -1.217 . . . . 25.0 108.944 -176.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -69.01 162.85 40.01 Favored 'Trans proline' 0 C--O 1.216 -0.621 0 C-N-CA 121.423 1.415 . . . . 25.0 112.06 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.74 154.45 74.45 Favored 'Trans proline' 0 CA--C 1.49 -1.695 0 C-N-CA 114.981 -2.88 . . . . 25.0 112.281 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.64 155.14 20.54 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-N 115.931 -0.577 . . . . 25.0 110.908 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -79.21 156.07 28.33 Favored 'General case' 0 C--O 1.277 2.513 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 p -149.65 170.5 18.55 Favored 'General case' 0 C--O 1.25 1.097 0 O-C-N 125.127 1.517 . . . . 25.0 109.738 171.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.95 -20.91 0.79 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 109.036 -0.727 . . . . 25.0 109.036 174.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -139.08 162.55 34.66 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 104.748 -2.315 . . . . 25.0 104.748 172.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -61.34 -32.26 72.14 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.881 0.696 . . . . 25.0 112.881 175.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 t -68.18 -10.54 55.04 Favored 'General case' 0 CA--C 1.571 1.777 0 C-N-CA 120.109 -0.636 . . . . 25.0 111.207 -177.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -69.89 -24.8 63.45 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 118.819 0.736 . . . . 50.0 110.439 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.2 m -94.97 171.0 9.02 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.057 1.132 . . . . 25.0 114.057 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.81 166.19 15.41 Favored 'General case' 0 C--O 1.201 -1.465 0 CA-C-O 122.01 0.909 . . . . 25.0 108.559 -176.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.42 133.6 56.24 Favored 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 108.142 -1.059 . . . . 25.0 108.142 174.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.52 -4.75 73.41 Favored Glycine 0 C--N 1.353 1.489 0 CA-C-O 119.619 -0.545 . . . . 25.0 113.452 -174.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.7 m -125.42 155.34 40.57 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 105.849 -1.908 . . . . 25.0 105.849 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -136.65 167.34 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 -175.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.0 t -101.69 127.62 48.36 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.31 168.51 25.64 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.011 -1.09 . . . . 25.0 112.489 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -59.12 -21.18 58.06 Favored 'Trans proline' 0 N--CA 1.489 1.226 0 N-CA-C 116.386 1.649 . . . . 25.0 116.386 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -80.99 -4.31 54.65 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-O 118.831 -0.604 . . . . 25.0 110.805 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.23 22.2 55.1 Favored Glycine 0 N--CA 1.474 1.169 0 CA-C-N 119.421 1.01 . . . . 25.0 110.745 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -129.83 144.88 51.53 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.231 -1.025 . . . . 25.0 108.231 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 t -71.14 152.71 43.15 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 123.89 0.876 . . . . 25.0 109.728 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.958 0 N-CA-C 107.353 -2.299 . . . . 50.0 107.353 -179.516 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.295 0 N-CA-C 111.07 -0.812 . . . . 25.0 111.07 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.15 158.85 85.08 Favored Pre-proline 0 CA--C 1.543 0.674 0 N-CA-C 113.367 0.876 . . . . 25.0 113.367 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -72.38 167.11 27.84 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 117.546 -1.169 . . . . 25.0 113.208 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -70.34 150.66 95.83 Favored Pre-proline 0 CA--C 1.511 -0.529 0 CA-C-N 116.374 -0.375 . . . . 25.0 110.622 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -81.15 -172.05 1.4 Allowed 'Trans proline' 0 C--O 1.211 -0.844 0 O-C-N 122.805 0.898 . . . . 25.0 110.3 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 -56.43 -37.07 69.72 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 114.316 1.228 . . . . 25.0 114.316 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.12 -135.15 2.83 Favored Glycine 0 CA--C 1.506 -0.492 0 N-CA-C 109.149 -1.58 . . . . 25.0 109.149 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -90.32 17.84 6.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.269 0.557 . . . . 25.0 109.681 174.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -56.49 152.16 26.11 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.652 -0.703 . . . . 25.0 112.625 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -68.5 167.08 23.55 Favored 'Trans proline' 0 C--O 1.244 0.784 0 C-N-CA 122.603 2.202 . . . . 25.0 112.812 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -66.35 159.31 50.81 Favored 'Trans proline' 0 C--O 1.243 0.749 0 C-N-CA 118.348 -0.635 . . . . 25.0 111.599 177.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.1 156.97 38.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.77 -0.65 . . . . 25.0 110.531 177.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.71 151.66 23.68 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 122.787 0.435 . . . . 25.0 110.206 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.1 p -148.57 162.03 40.48 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 175.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.61 -5.41 3.68 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 123.559 0.744 . . . . 25.0 110.182 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -153.55 163.82 39.3 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 103.725 -2.694 . . . . 25.0 103.725 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -69.58 -28.99 66.44 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 -176.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -12.4 50.22 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 115.781 1.771 . . . . 25.0 115.781 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -78.08 -10.51 59.65 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.282 -0.262 . . . . 50.0 110.554 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 78.4 m -102.79 165.85 10.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 122.324 1.059 . . . . 25.0 110.925 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.6 mt -75.66 154.38 36.59 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 106.688 -1.597 . . . . 25.0 106.688 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.73 128.87 38.71 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.978 -1.119 . . . . 25.0 107.978 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.05 -2.74 55.27 Favored Glycine 0 C--N 1.333 0.394 0 N-CA-C 111.178 -0.769 . . . . 25.0 111.178 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 20' ' ' CYS . 25.9 m -121.01 155.27 34.69 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 106.945 -1.502 . . . . 25.0 106.945 175.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.66 167.4 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.933 0.397 . . . . 25.0 110.605 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.4 t -102.06 118.71 37.47 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 108.128 -1.064 . . . . 25.0 108.128 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.67 177.39 51.28 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 115.046 0.779 . . . . 25.0 115.046 -174.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.29 -10.0 25.08 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 N-CA-C 115.347 1.249 . . . . 25.0 115.347 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -93.45 0.66 56.86 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.036 -0.529 . . . . 25.0 110.869 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.9 20.52 75.96 Favored Glycine 0 C--O 1.241 0.535 0 C-N-CA 120.838 -0.696 . . . . 25.0 112.288 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -116.22 145.9 42.76 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.5 t -72.32 148.44 45.35 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.873 0 CA-C-O 117.809 -1.55 . . . . 50.0 110.72 178.85 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.41 -3.035 0 N-CA-C 111.646 -0.582 . . . . 25.0 111.646 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.2 m -79.61 159.61 71.47 Favored Pre-proline 0 C--O 1.257 1.453 0 C-N-CA 124.014 0.926 . . . . 25.0 110.692 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -72.11 153.9 57.26 Favored 'Trans proline' 0 C--O 1.204 -1.19 0 C-N-CA 113.889 -3.608 . . . . 25.0 115.718 -170.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -135.45 76.58 55.36 Favored Pre-proline 0 C--N 1.32 -0.681 0 C-N-CA 123.468 0.707 . . . . 25.0 110.242 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.47 -27.31 48.99 Favored 'Trans proline' 0 C--O 1.202 -1.283 0 N-CA-C 118.698 2.538 . . . . 25.0 118.698 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -124.8 -45.58 1.89 Allowed 'General case' 0 C--O 1.19 -2.057 0 CA-C-O 122.585 1.183 . . . . 25.0 110.845 175.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.07 8.62 81.83 Favored Glycine 0 C--O 1.192 -2.51 0 CA-C-N 115.674 -0.694 . . . . 25.0 111.493 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -107.34 -13.04 15.21 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.698 0.761 . . . . 25.0 110.978 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -95.44 153.83 39.47 Favored Pre-proline 0 C--N 1.321 -0.645 0 O-C-N 121.106 -0.996 . . . . 25.0 109.385 -171.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -63.57 160.93 33.77 Favored 'Trans proline' 0 C--N 1.352 0.732 0 O-C-N 123.022 1.012 . . . . 25.0 112.544 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -64.94 156.29 63.23 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 117.06 -1.493 . . . . 25.0 113.81 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.453 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.9 pt? -70.28 159.33 34.26 Favored 'General case' 0 C--O 1.254 1.331 0 CA-C-N 115.618 -0.719 . . . . 25.0 111.624 175.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 p -81.54 156.13 25.39 Favored 'General case' 0 C--O 1.27 2.133 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 21.0 p -141.49 171.19 14.4 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 125.094 1.497 . . . . 25.0 110.834 173.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.34 -23.96 0.73 Allowed 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 171.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -135.84 165.53 25.42 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 105.023 -2.214 . . . . 25.0 105.023 171.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -69.96 -24.94 63.42 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-O 119.116 -0.468 . . . . 25.0 111.692 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.95 -13.78 58.27 Favored 'General case' 0 CA--C 1.552 1.051 0 O-C-N 123.691 0.619 . . . . 25.0 112.582 176.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -72.31 -28.62 63.19 Favored 'General case' 0 C--O 1.248 1.015 0 C-N-CA 119.944 -0.702 . . . . 50.0 110.882 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.9 m -93.58 172.32 8.34 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.012 -0.736 . . . . 25.0 109.012 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.5 mt -78.54 162.15 26.51 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.05 128.28 36.03 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 107.521 -1.289 . . . . 25.0 107.521 175.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.03 -10.26 58.41 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 124.134 0.896 . . . . 25.0 114.136 -172.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.7 m -111.23 160.62 16.81 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 104.617 -2.364 . . . . 25.0 104.617 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.4 m -129.54 174.29 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.5 t -121.65 122.68 40.14 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 118.635 -0.698 . . . . 25.0 109.246 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -108.73 179.0 21.19 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 122.95 1.306 . . . . 25.0 115.796 -174.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -62.37 -15.07 42.69 Favored 'Trans proline' 0 C--O 1.201 -1.354 0 N-CA-C 116.669 1.757 . . . . 25.0 116.669 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -80.85 -4.62 55.41 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-N 119.22 0.918 . . . . 25.0 108.853 177.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.02 18.69 76.34 Favored Glycine 0 C--O 1.25 1.116 0 CA-C-O 122.301 0.945 . . . . 25.0 111.56 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -123.69 143.15 50.45 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 109.006 -0.738 . . . . 25.0 109.006 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 21.7 m -67.21 143.96 56.24 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 105.785 -1.931 . . . . 25.0 105.785 175.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.218 0 CA-C-O 118.378 -1.235 . . . . 50.0 110.164 -176.45 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.314 0 N-CA-C 111.789 -0.524 . . . . 25.0 111.789 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 51.0 m -77.72 132.34 68.61 Favored Pre-proline 0 C--N 1.304 -1.385 0 CA-C-O 122.255 1.026 . . . . 25.0 111.389 -171.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -81.22 155.36 19.31 Favored 'Trans proline' 0 C--O 1.213 -0.761 0 C-N-CA 116.477 -1.882 . . . . 25.0 114.803 -175.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -127.77 76.93 76.88 Favored Pre-proline 0 C--N 1.313 -0.999 0 O-C-N 121.758 -0.589 . . . . 25.0 109.767 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.97 -41.4 71.64 Favored 'Trans proline' 0 C--O 1.192 -1.801 0 C-N-CA 122.677 2.251 . . . . 25.0 116.901 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -78.64 -40.94 32.81 Favored 'General case' 0 C--O 1.198 -1.642 0 CA-C-O 123.184 1.469 . . . . 25.0 107.201 177.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.62 -36.27 4.03 Favored Glycine 0 C--O 1.208 -1.469 0 CA-C-N 114.098 -1.41 . . . . 25.0 110.823 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -97.71 7.81 45.78 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.106 0.963 . . . . 25.0 110.344 176.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -72.11 137.17 81.8 Favored Pre-proline 0 C--N 1.321 -0.664 0 O-C-N 120.27 -1.519 . . . . 25.0 112.948 -172.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.67 166.27 26.59 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.555 2.17 . . . . 25.0 113.394 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.56 158.44 53.74 Favored 'Trans proline' 0 C--O 1.218 -0.512 0 C-N-CA 115.241 -2.706 . . . . 25.0 114.854 173.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.497 ' H ' HD23 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -83.24 162.33 21.23 Favored 'General case' 0 C--O 1.26 1.618 0 N-CA-C 108.856 -0.794 . . . . 25.0 108.856 173.446 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 p -76.77 154.46 33.99 Favored 'General case' 0 C--O 1.272 2.288 0 O-C-N 121.92 -0.488 . . . . 25.0 110.416 175.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.3 p -150.63 161.61 42.25 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 124.561 1.163 . . . . 25.0 109.077 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.32 -20.39 3.01 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 173.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -137.48 166.79 23.02 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 103.485 -2.783 . . . . 25.0 103.485 171.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -69.25 -25.54 64.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.981 -0.449 . . . . 25.0 111.583 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -19.26 59.36 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.914 0.709 . . . . 25.0 112.914 175.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -75.81 -19.33 59.03 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 118.317 0.508 . . . . 50.0 110.849 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 84.7 m -90.88 176.11 6.74 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.739 1.257 . . . . 25.0 111.825 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.92 162.67 20.4 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 114.585 -1.189 . . . . 25.0 108.065 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 137.57 57.89 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 121.604 -0.685 . . . . 25.0 109.71 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.1 -5.8 84.35 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-N 115.071 -0.968 . . . . 25.0 114.729 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 20' ' ' CYS . 25.4 m -113.41 161.63 17.08 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.181 -1.785 . . . . 25.0 106.181 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -132.67 170.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.9 t -109.37 150.37 28.14 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.04 170.66 20.09 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.416 -0.897 . . . . 25.0 113.282 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.32 -17.08 38.0 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 N-CA-C 117.14 1.938 . . . . 25.0 117.14 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -70.36 -17.68 63.05 Favored 'General case' 0 C--O 1.261 1.674 0 CA-C-N 118.148 0.431 . . . . 25.0 110.066 175.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.33 17.51 60.53 Favored Glycine 0 N--CA 1.472 1.038 0 CA-C-O 122.868 1.26 . . . . 25.0 111.7 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -133.62 147.68 51.49 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 107.116 -1.438 . . . . 25.0 107.116 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.1 t -70.3 151.45 45.27 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 124.95 1.406 . . . . 25.0 111.62 -175.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.771 0 N-CA-C 109.24 -1.544 . . . . 50.0 109.24 -179.796 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.539 0 CA-C-O 119.012 -0.882 . . . . 25.0 111.867 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -73.92 155.37 88.67 Favored Pre-proline 0 C--N 1.313 -0.98 0 CA-C-N 118.747 1.273 . . . . 25.0 112.206 -177.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.07 139.21 42.0 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 114.269 -3.354 . . . . 25.0 111.955 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -72.41 150.15 91.53 Favored Pre-proline 0 C--O 1.258 1.501 0 C-N-CA 119.426 -0.91 . . . . 25.0 110.392 -171.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -84.16 169.59 11.33 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 CA-C-N 118.825 0.616 . . . . 25.0 112.153 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -84.01 -17.85 39.07 Favored 'General case' 0 C--O 1.192 -1.959 0 CA-C-O 123.994 1.854 . . . . 25.0 108.032 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.94 21.28 16.24 Favored Glycine 0 C--O 1.203 -1.798 0 CA-C-N 113.387 -1.733 . . . . 25.0 111.671 175.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -107.74 -10.23 15.65 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-O 121.911 0.862 . . . . 25.0 110.603 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -141.51 147.41 46.06 Favored Pre-proline 0 C--N 1.318 -0.766 0 O-C-N 120.798 -1.189 . . . . 25.0 108.029 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -67.26 161.64 42.11 Favored 'Trans proline' 0 C--O 1.216 -0.579 0 C-N-CA 121.741 1.627 . . . . 25.0 113.249 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -66.86 163.37 33.76 Favored 'Trans proline' 0 CA--C 1.511 -0.627 0 C-N-CA 117.035 -1.51 . . . . 25.0 111.856 174.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.35 154.42 40.11 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 120.739 -1.225 . . . . 25.0 111.898 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -89.86 152.26 21.35 Favored 'General case' 0 C--O 1.272 2.238 0 CA-C-N 115.83 -0.623 . . . . 25.0 111.278 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.3 p -149.05 165.48 31.57 Favored 'General case' 0 C--O 1.258 1.539 0 O-C-N 124.255 0.972 . . . . 25.0 109.889 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.49 -5.57 3.73 Favored 'General case' 0 C--O 1.256 1.399 0 CA-C-O 120.759 0.314 . . . . 25.0 111.077 174.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -152.04 162.44 41.09 Favored 'General case' 0 CA--C 1.561 1.368 0 N-CA-C 105.635 -1.987 . . . . 25.0 105.635 174.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -59.39 -35.35 73.78 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.333 -0.394 . . . . 25.0 111.336 175.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -17.07 63.64 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -177.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -72.85 -18.37 61.45 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 118.501 0.592 . . . . 50.0 110.911 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.2 m -96.28 179.52 5.01 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 122.417 1.103 . . . . 25.0 113.799 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.5 mt -78.04 162.71 26.52 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 114.114 -1.403 . . . . 25.0 108.537 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.45 140.28 56.34 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.54 -3.5 85.16 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-O 118.867 -0.963 . . . . 25.0 114.658 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m -118.17 158.44 25.09 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 106.958 -1.497 . . . . 25.0 106.958 -177.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -133.44 172.24 16.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 106.366 -1.716 . . . . 25.0 106.366 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.9 t -110.73 133.06 53.67 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.9 175.65 24.27 Favored Glycine 0 N--CA 1.432 -1.579 0 N-CA-C 115.712 1.045 . . . . 25.0 115.712 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.89 -16.63 50.66 Favored 'Trans proline' 0 C--O 1.199 -1.468 0 N-CA-C 117.358 2.022 . . . . 25.0 117.358 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -85.71 -2.09 57.85 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-O 118.842 -0.599 . . . . 25.0 110.173 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.33 19.41 71.82 Favored Glycine 0 N--CA 1.472 1.077 0 CA-C-N 119.284 0.947 . . . . 25.0 111.883 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -123.77 149.37 45.71 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 106.45 -1.685 . . . . 25.0 106.45 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.8 t -70.95 148.37 47.76 Favored 'General case' 0 CA--C 1.519 -0.25 0 O-C-N 124.584 1.177 . . . . 25.0 109.211 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.172 0 CA-C-O 118.086 -1.397 . . . . 50.0 110.276 178.633 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -2.371 0 N-CA-C 110.661 -0.975 . . . . 25.0 110.661 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.2 m -66.14 156.61 84.09 Favored Pre-proline 0 N--CA 1.482 1.13 0 C-N-CA 124.392 1.077 . . . . 25.0 113.067 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -73.37 151.5 48.29 Favored 'Trans proline' 0 C--O 1.2 -1.407 0 C-N-CA 114.298 -3.335 . . . . 25.0 114.444 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -134.5 74.17 66.58 Favored Pre-proline 0 C--O 1.263 1.788 0 N-CA-C 112.735 0.643 . . . . 25.0 112.735 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -71.73 -19.4 27.68 Favored 'Trans proline' 0 C--O 1.198 -1.478 0 C-N-CA 124.246 3.298 . . . . 25.0 116.481 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.4 tpp85 -118.74 -42.75 2.71 Favored 'General case' 0 C--O 1.203 -1.374 0 CA-C-O 123.044 1.402 . . . . 25.0 110.858 174.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.82 -23.09 20.38 Favored Glycine 0 C--O 1.209 -1.457 0 CA-C-N 114.821 -1.081 . . . . 25.0 111.016 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -114.21 12.93 17.85 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 122.559 1.171 . . . . 25.0 110.142 174.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -74.84 139.27 73.45 Favored Pre-proline 0 C--N 1.312 -1.059 0 CA-C-N 115.319 -0.855 . . . . 25.0 109.904 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -68.73 165.22 30.34 Favored 'Trans proline' 0 C--O 1.212 -0.812 0 C-N-CA 121.549 1.5 . . . . 25.0 115.12 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -69.24 155.21 68.34 Favored 'Trans proline' 0 CA--C 1.506 -0.89 0 C-N-CA 116.196 -2.069 . . . . 25.0 114.946 175.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.558 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.3 pt? -84.31 161.53 20.41 Favored 'General case' 0 C--O 1.254 1.317 0 CA-C-N 114.937 -1.029 . . . . 25.0 109.431 174.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.95 157.84 29.56 Favored 'General case' 0 C--O 1.272 2.245 0 O-C-N 122.257 -0.277 . . . . 25.0 111.674 174.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.428 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 30.8 p -142.51 164.92 28.81 Favored 'General case' 0 C--O 1.251 1.174 0 O-C-N 124.37 1.044 . . . . 25.0 112.079 173.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -140.71 -9.26 1.06 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -143.37 163.74 32.22 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 106.177 -1.786 . . . . 25.0 106.177 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.32 -35.87 80.39 Favored 'General case' 0 N--CA 1.434 -1.229 0 O-C-N 123.846 0.716 . . . . 25.0 112.275 172.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.1 t -69.27 -7.8 40.24 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 119.899 -0.72 . . . . 25.0 112.084 -177.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -68.92 -25.65 64.69 Favored 'General case' 0 CA--C 1.492 -1.256 0 O-C-N 121.334 -0.854 . . . . 50.0 111.786 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.2 m -94.87 167.26 11.53 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 122.407 1.099 . . . . 25.0 112.272 -176.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.9 mt -80.48 162.59 24.31 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.97 134.34 31.96 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 108.171 -1.048 . . . . 25.0 108.171 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.7 -14.66 60.34 Favored Glycine 0 C--N 1.341 0.813 0 N-CA-C 115.659 1.024 . . . . 25.0 115.659 -174.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 m -119.37 149.82 41.19 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 106.278 -1.749 . . . . 25.0 106.278 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.9 m -125.69 168.48 18.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.7 t -93.18 119.55 32.5 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.968 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.07 179.03 40.82 Favored Glycine 0 C--O 1.247 0.955 0 CA-C-O 122.875 1.264 . . . . 25.0 115.703 -174.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -75.26 -12.48 21.02 Favored 'Trans proline' 0 N--CA 1.502 1.993 0 N-CA-C 114.994 1.113 . . . . 25.0 114.994 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -82.98 -5.58 59.14 Favored 'General case' 0 C--O 1.255 1.348 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.28 19.25 59.16 Favored Glycine 0 N--CA 1.468 0.828 0 CA-C-O 122.021 0.789 . . . . 25.0 111.428 -177.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -127.59 144.74 51.04 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.299 0.639 . . . . 25.0 109.999 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 16.0 m -69.71 143.16 53.17 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 107.138 -1.43 . . . . 25.0 107.138 177.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.869 0 N-CA-C 110.327 -1.109 . . . . 50.0 110.327 -175.192 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.964 0 N-CA-C 110.353 -1.099 . . . . 25.0 110.353 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 87.0 m -62.65 146.53 94.17 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 114.295 1.22 . . . . 25.0 114.295 -175.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -68.72 140.67 47.42 Favored 'Trans proline' 0 C--O 1.209 -0.968 0 C-N-CA 115.692 -2.405 . . . . 25.0 113.259 -178.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 24.19 77.38 0.24 Allowed Pre-proline 0 CA--C 1.566 1.586 0 N-CA-C 114.477 1.288 . . . . 25.0 114.477 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.07 149.37 32.4 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 115.339 -2.641 . . . . 25.0 111.238 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -77.08 -41.55 41.8 Favored 'General case' 0 C--O 1.19 -2.043 0 CA-C-O 122.977 1.37 . . . . 25.0 109.037 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.18 -6.66 72.35 Favored Glycine 0 C--O 1.192 -2.499 0 CA-C-N 114.326 -1.306 . . . . 25.0 110.709 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -100.4 -22.38 15.07 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 123.001 1.381 . . . . 25.0 109.208 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -71.93 133.91 83.77 Favored Pre-proline 0 C--N 1.309 -1.159 0 CA-C-N 115.032 -0.985 . . . . 25.0 113.479 -173.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.41 162.95 40.56 Favored 'Trans proline' 0 C--O 1.221 -0.352 0 O-C-N 122.986 0.993 . . . . 25.0 111.858 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -72.66 154.62 54.58 Favored 'Trans proline' 0 CA--C 1.495 -1.461 0 C-N-CA 114.67 -3.087 . . . . 25.0 113.573 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pp -110.56 154.46 23.69 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 116.409 -0.36 . . . . 25.0 110.356 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.31 147.41 29.9 Favored 'General case' 0 C--O 1.271 2.233 0 N-CA-C 113.0 0.741 . . . . 25.0 113.0 -177.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.2 p -144.3 171.68 13.98 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 124.349 1.031 . . . . 25.0 109.539 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.27 -16.61 1.21 Allowed 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 172.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -137.82 166.5 23.85 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 104.036 -2.579 . . . . 25.0 104.036 171.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -71.83 -26.83 62.55 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -12.35 51.25 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 112.366 0.506 . . . . 25.0 112.366 177.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -72.69 -14.75 61.64 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 118.104 0.411 . . . . 50.0 110.918 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -115.63 -169.03 1.5 Allowed 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.635 0.731 . . . . 25.0 111.861 -175.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.9 mt -81.61 160.13 23.86 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.074 -1.084 . . . . 25.0 108.074 -174.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.31 134.83 55.45 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 106.597 -1.631 . . . . 25.0 106.597 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.78 -11.88 69.27 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-N 116.07 -0.514 . . . . 25.0 114.314 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.42 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 81.8 m -93.24 168.22 11.23 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 106.842 -1.54 . . . . 25.0 106.842 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 m -131.8 171.15 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 174.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.2 t -114.9 120.73 40.95 Favored 'General case' 0 CA--C 1.558 1.278 0 N-CA-C 106.0 -1.852 . . . . 25.0 106.0 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.87 177.73 33.04 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-O 123.476 1.598 . . . . 25.0 115.889 -172.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.05 -14.26 42.41 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 N-CA-C 115.916 1.468 . . . . 25.0 115.916 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -83.04 -6.62 59.56 Favored 'General case' 0 C--O 1.259 1.562 0 O-C-N 123.556 0.535 . . . . 25.0 110.128 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.12 22.11 66.31 Favored Glycine 0 N--CA 1.472 1.05 0 N-CA-C 110.546 -1.021 . . . . 25.0 110.546 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -127.39 145.71 50.72 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 106.788 -1.56 . . . . 25.0 106.788 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 49.2 t -68.99 141.19 54.98 Favored 'General case' 0 C--O 1.209 -1.04 0 C-N-CA 124.851 1.26 . . . . 25.0 108.8 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.74 0 CA-C-O 117.942 -1.477 . . . . 50.0 109.45 174.945 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.835 0 CA-C-O 118.471 -1.183 . . . . 25.0 110.678 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.1 m -70.0 151.17 96.2 Favored Pre-proline 0 CA--C 1.492 -1.254 0 CA-C-N 119.124 1.462 . . . . 25.0 111.716 -177.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -75.05 145.79 31.71 Favored 'Trans proline' 0 C--O 1.202 -1.277 0 C-N-CA 114.963 -2.891 . . . . 25.0 114.691 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -143.05 63.76 13.52 Favored Pre-proline 0 C--O 1.243 0.744 0 O-C-N 121.583 -0.698 . . . . 25.0 109.453 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -71.86 -11.26 27.42 Favored 'Trans proline' 0 C--O 1.194 -1.676 0 C-N-CA 123.05 2.5 . . . . 25.0 117.303 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -122.27 -33.01 3.56 Favored 'General case' 0 C--O 1.192 -1.97 0 CA-C-O 121.885 0.85 . . . . 25.0 111.665 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.02 -17.17 59.31 Favored Glycine 0 C--O 1.195 -2.299 0 N-CA-C 110.406 -1.077 . . . . 25.0 110.406 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -113.87 4.41 15.84 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 122.182 0.991 . . . . 25.0 111.739 173.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -71.34 133.35 85.34 Favored Pre-proline 0 CA--C 1.549 0.905 0 N-CA-C 108.745 -0.835 . . . . 25.0 108.745 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -68.54 155.02 70.42 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 120.658 0.906 . . . . 25.0 114.138 -173.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.31 158.98 54.57 Favored 'Trans proline' 0 CA--C 1.509 -0.754 0 O-C-N 123.739 1.389 . . . . 25.0 114.435 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.52 159.12 27.04 Favored 'General case' 0 C--O 1.27 2.159 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.949 173.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.7 p -80.94 149.72 29.28 Favored 'General case' 0 C--O 1.278 2.604 0 O-C-N 121.843 -0.536 . . . . 25.0 111.171 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -148.57 173.05 13.56 Favored 'General case' 0 C--O 1.255 1.394 0 O-C-N 123.92 0.762 . . . . 25.0 109.487 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.58 -21.22 0.74 Allowed 'General case' 0 C--O 1.242 0.661 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 170.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -134.93 164.07 28.43 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 106.142 -1.799 . . . . 25.0 106.142 172.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -58.75 -34.15 71.07 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.718 -0.614 . . . . 25.0 112.537 174.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.49 -15.9 42.18 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 113.421 0.897 . . . . 25.0 113.421 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -75.81 -20.27 58.32 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 118.152 0.433 . . . . 50.0 110.866 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.4 m -94.39 177.9 5.79 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 122.906 1.336 . . . . 25.0 113.434 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.13 162.12 24.92 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.177 -1.786 . . . . 25.0 106.177 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.36 143.38 53.19 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 106.694 -1.595 . . . . 25.0 106.694 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.57 -1.75 87.24 Favored Glycine 0 N--CA 1.472 1.095 0 N-CA-C 115.731 1.052 . . . . 25.0 115.731 -175.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.0 m -121.21 161.57 21.67 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.9 m -132.36 167.13 27.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 N-CA-C 109.548 -0.538 . . . . 25.0 109.548 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.1 t -99.79 129.02 45.86 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-O 118.67 -0.681 . . . . 25.0 111.156 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.58 176.86 35.55 Favored Glycine 0 CA--C 1.537 1.426 0 CA-C-O 123.1 1.389 . . . . 25.0 114.938 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.81 -12.65 26.53 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 N-CA-C 115.139 1.169 . . . . 25.0 115.139 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -89.85 1.44 56.18 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 121.847 -0.533 . . . . 25.0 110.451 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.26 21.64 64.55 Favored Glycine 0 N--CA 1.472 1.048 0 C-N-CA 119.864 -1.16 . . . . 25.0 111.416 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -129.52 147.58 51.34 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 106.637 -1.616 . . . . 25.0 106.637 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.57 155.35 40.15 Favored 'General case' 0 CA--C 1.518 -0.279 0 O-C-N 124.945 1.403 . . . . 25.0 110.447 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.433 0 N-CA-C 108.826 -1.71 . . . . 50.0 108.826 -177.944 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.311 0 CA-C-O 119.3 -0.722 . . . . 25.0 112.021 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.1 m 61.26 150.55 0.1 OUTLIER Pre-proline 0 N--CA 1.478 0.95 0 N-CA-C 117.658 2.466 . . . . 25.0 117.658 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -78.12 111.9 3.15 Favored 'Trans proline' 0 N--CA 1.477 0.553 0 C-N-CA 115.796 -2.336 . . . . 25.0 113.358 -176.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 31.09 72.78 0.52 Allowed Pre-proline 0 CA--C 1.578 2.029 0 CA-C-N 113.853 -1.521 . . . . 25.0 111.642 -176.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -74.08 144.1 33.35 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 116.063 -2.158 . . . . 25.0 113.18 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -73.8 -34.41 64.62 Favored 'General case' 0 C--O 1.197 -1.687 0 CA-C-O 123.321 1.534 . . . . 25.0 111.138 -173.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.26 17.63 60.46 Favored Glycine 0 C--O 1.198 -2.108 0 CA-C-N 114.752 -1.113 . . . . 25.0 110.973 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -123.54 -26.02 4.27 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.615 1.198 . . . . 25.0 111.595 177.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -75.17 142.28 75.34 Favored Pre-proline 0 C--N 1.317 -0.838 0 O-C-N 120.787 -1.196 . . . . 25.0 112.31 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.4 163.26 37.22 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.548 2.165 . . . . 25.0 112.178 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -71.16 166.5 29.01 Favored 'Trans proline' 0 CA--C 1.491 -1.656 0 C-N-CA 114.158 -3.428 . . . . 25.0 114.241 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.04 155.43 43.25 Favored 'General case' 0 C--O 1.261 1.71 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 176.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 p -82.55 155.95 24.24 Favored 'General case' 0 C--O 1.274 2.394 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -150.97 169.66 21.22 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.506 1.129 . . . . 25.0 108.442 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 t -141.33 -18.49 0.79 Allowed 'General case' 0 C--N 1.347 0.471 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 171.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -134.86 169.02 18.01 Favored 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 103.086 -2.931 . . . . 25.0 103.086 169.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -72.43 -24.01 61.16 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.813 0.672 . . . . 25.0 112.813 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.0 t -66.36 -13.4 60.55 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 118.684 -0.674 . . . . 25.0 111.221 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -72.36 -11.22 60.6 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-N 118.503 0.592 . . . . 50.0 110.773 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.4 t -118.68 -174.77 2.75 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.895 1.443 . . . . 25.0 114.895 -175.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.0 mt -77.78 153.54 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.443 1.116 . . . . 25.0 109.49 -173.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.67 121.6 12.65 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.69 -10.92 35.32 Favored Glycine 0 C--N 1.347 1.168 0 N-CA-C 115.509 0.964 . . . . 25.0 115.509 -173.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.502 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 78.8 m -101.24 164.41 11.8 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -127.21 170.21 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.4 t -111.55 124.6 52.62 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.74 177.14 38.55 Favored Glycine 0 C--O 1.248 0.997 0 CA-C-O 123.201 1.445 . . . . 25.0 116.131 -174.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.38 -9.41 23.01 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 N-CA-C 114.83 1.05 . . . . 25.0 114.83 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -88.87 -1.98 58.36 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 108.264 -1.013 . . . . 25.0 108.264 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.89 17.97 68.83 Favored Glycine 0 N--CA 1.472 1.067 0 CA-C-N 119.215 0.916 . . . . 25.0 111.795 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -123.27 145.77 48.41 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 43.7 t -65.83 148.14 52.25 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 125.212 1.57 . . . . 25.0 108.705 177.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.832 0 CA-C-O 117.961 -1.466 . . . . 50.0 110.313 -177.912 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.413 -2.861 0 N-CA-C 111.29 -0.724 . . . . 25.0 111.29 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.5 m -75.61 157.98 83.62 Favored Pre-proline 0 C--O 1.246 0.897 0 N-CA-C 114.933 1.457 . . . . 25.0 114.933 -174.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.99 167.62 26.77 Favored 'Trans proline' 0 C--O 1.207 -1.069 0 C-N-CA 116.733 -1.711 . . . . 25.0 114.061 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.4 mtt85 -129.67 69.7 81.6 Favored Pre-proline 0 C--N 1.308 -1.204 0 O-C-N 121.199 -0.938 . . . . 25.0 112.107 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -71.28 -13.24 30.72 Favored 'Trans proline' 0 C--O 1.204 -1.216 0 N-CA-C 116.468 1.68 . . . . 25.0 116.468 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -130.96 -54.55 1.05 Allowed 'General case' 0 C--O 1.188 -2.159 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.99 9.93 72.94 Favored Glycine 0 C--O 1.203 -1.812 0 N-CA-C 111.186 -0.766 . . . . 25.0 111.186 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -126.48 9.17 7.14 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 122.767 1.27 . . . . 25.0 112.6 178.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.45 146.07 30.94 Favored Pre-proline 0 C--N 1.306 -1.293 0 O-C-N 120.351 -1.468 . . . . 25.0 111.959 -172.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -70.76 162.73 41.58 Favored 'Trans proline' 0 C--O 1.198 -1.492 0 C-N-CA 122.927 2.418 . . . . 25.0 115.05 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -68.45 157.43 61.88 Favored 'Trans proline' 0 CA--C 1.497 -1.343 0 C-N-CA 113.632 -3.779 . . . . 25.0 113.189 171.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.87 156.68 16.48 Favored 'General case' 0 C--O 1.252 1.223 0 N-CA-C 107.453 -1.314 . . . . 25.0 107.453 173.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -82.52 157.05 23.7 Favored 'General case' 0 C--O 1.272 2.243 0 O-C-N 121.995 -0.441 . . . . 25.0 111.261 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.6 p -150.43 165.97 31.55 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 124.609 1.193 . . . . 25.0 109.854 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.35 -13.36 3.9 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.422 0.451 . . . . 25.0 110.242 176.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -150.24 164.08 36.63 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 105.774 -1.936 . . . . 25.0 105.774 173.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.62 -32.13 71.28 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.809 1.04 . . . . 25.0 113.809 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -69.53 -13.45 62.34 Favored 'General case' 0 CA--C 1.568 1.667 0 CA-C-O 118.523 -0.751 . . . . 25.0 111.458 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -67.8 -25.48 65.61 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-N 119.626 1.103 . . . . 50.0 109.641 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.477 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 87.1 m -88.23 174.07 8.41 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 114.287 1.218 . . . . 25.0 114.287 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.2 mt -77.13 164.34 25.76 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 114.652 -1.158 . . . . 25.0 108.226 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.84 135.35 57.28 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 106.251 -1.759 . . . . 25.0 106.251 173.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.17 -9.08 69.99 Favored Glycine 0 C--N 1.351 1.363 0 N-CA-C 114.582 0.593 . . . . 25.0 114.582 -174.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.477 ' HB2' ' HB3' ' A' ' 20' ' ' CYS . 75.3 m -117.64 158.24 24.99 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 107.443 -1.318 . . . . 25.0 107.443 -178.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.1 m -130.55 166.88 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 108.328 -0.99 . . . . 25.0 108.328 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.1 t -102.35 134.56 45.45 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 175.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -103.15 172.65 21.66 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 119.948 -1.12 . . . . 25.0 114.383 -175.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -62.5 -19.86 68.89 Favored 'Trans proline' 0 N--CA 1.49 1.315 0 C-N-CA 120.647 0.898 . . . . 25.0 113.533 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -72.42 -14.17 61.63 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 123.83 0.706 . . . . 25.0 110.594 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.83 12.94 76.3 Favored Glycine 0 C--O 1.247 0.939 0 CA-C-O 122.375 0.986 . . . . 25.0 111.102 -176.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -122.44 147.87 45.8 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.7 t -73.54 149.53 42.13 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 125.348 1.655 . . . . 25.0 109.792 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.079 -1.401 . . . . 50.0 111.878 -177.4 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -1.329 0 N-CA-C 110.875 -0.89 . . . . 25.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.9 m -76.86 160.86 75.65 Favored Pre-proline 0 C--N 1.313 -0.998 0 CA-C-N 118.917 1.359 . . . . 25.0 113.756 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.49 151.99 70.67 Favored 'Trans proline' 0 C--O 1.2 -1.401 0 C-N-CA 113.923 -3.585 . . . . 25.0 111.968 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -125.82 65.1 53.11 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 -174.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.09 -16.81 28.6 Favored 'Trans proline' 0 C--N 1.364 1.389 0 N-CA-C 116.483 1.686 . . . . 25.0 116.483 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -138.25 142.28 39.89 Favored 'General case' 0 C--O 1.259 1.602 0 N-CA-C 104.826 -2.287 . . . . 25.0 104.826 -177.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.6 -19.74 57.69 Favored Glycine 0 C--O 1.184 -3.003 0 N-CA-C 109.504 -1.438 . . . . 25.0 109.504 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -107.58 20.62 18.62 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.514 1.126 . . . . 25.0 112.574 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -61.6 136.41 94.55 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 121.914 -0.491 . . . . 25.0 112.002 -173.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.38 157.13 57.4 Favored 'Trans proline' 0 C--O 1.206 -1.084 0 O-C-N 122.925 0.96 . . . . 25.0 113.124 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.49 164.04 33.18 Favored 'Trans proline' 0 CA--C 1.489 -1.733 0 C-N-CA 114.4 -3.266 . . . . 25.0 112.591 174.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.33 150.98 35.43 Favored 'General case' 0 C--O 1.253 1.244 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 173.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 p -86.18 150.58 24.3 Favored 'General case' 0 C--O 1.262 1.729 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.2 p -147.07 166.57 26.5 Favored 'General case' 0 C--O 1.25 1.085 0 O-C-N 125.062 1.476 . . . . 25.0 110.005 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.63 -9.33 2.45 Favored 'General case' 0 C--O 1.252 1.221 0 N-CA-C 109.257 -0.646 . . . . 25.0 109.257 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -146.75 165.01 30.92 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 105.327 -2.101 . . . . 25.0 105.327 175.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -66.82 -31.33 71.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.148 0.499 . . . . 25.0 111.622 173.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.8 m -66.53 -11.95 55.23 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -72.23 -21.46 61.39 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-O 121.214 0.531 . . . . 50.0 109.991 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.9 m -100.87 168.81 9.4 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 122.423 1.106 . . . . 25.0 112.323 -175.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.3 mt -76.19 160.25 29.89 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 122.142 0.972 . . . . 25.0 108.612 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.68 131.98 50.77 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 106.126 -1.805 . . . . 25.0 106.126 173.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.89 -8.56 65.57 Favored Glycine 0 N--CA 1.476 1.337 0 C-N-CA 120.549 -0.834 . . . . 25.0 115.053 -172.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.7 m -118.47 151.8 37.13 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 103.534 -2.765 . . . . 25.0 103.534 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.13 161.32 41.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.8 t -103.22 125.5 49.92 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.12 178.73 26.99 Favored Glycine 0 N--CA 1.432 -1.586 0 CA-C-O 122.967 1.315 . . . . 25.0 116.301 -174.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -64.6 -15.94 52.63 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.789 2.326 . . . . 25.0 116.158 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -87.17 -1.63 58.03 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.79 15.71 78.76 Favored Glycine 0 N--CA 1.467 0.72 0 N-CA-C 110.526 -1.03 . . . . 25.0 110.526 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -121.25 149.79 42.34 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 t -78.23 150.57 33.43 Favored 'General case' 0 C--O 1.221 -0.433 0 O-C-N 124.83 1.332 . . . . 25.0 108.947 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.143 -1.365 . . . . 50.0 111.422 -179.594 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.949 0 CA-C-O 119.063 -0.854 . . . . 25.0 111.346 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 m 64.52 163.26 0.12 Allowed Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 117.222 2.304 . . . . 25.0 117.222 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.1 144.59 63.99 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 114.971 -2.886 . . . . 25.0 111.095 176.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -67.36 148.71 98.67 Favored Pre-proline 0 C--O 1.243 0.759 0 N-CA-C 109.663 -0.495 . . . . 25.0 109.663 -178.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -70.97 166.86 27.72 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 118.289 -0.674 . . . . 25.0 112.97 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -73.18 -17.42 61.37 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.505 0.928 . . . . 25.0 113.505 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.85 -156.27 8.92 Favored Glycine 0 C--O 1.216 -0.992 1 N-CA-C 101.305 -4.718 . . . . 25.0 101.305 -177.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -75.55 20.38 0.17 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 119.418 1.609 . . . . 25.0 113.477 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -58.56 146.0 74.82 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 116.183 -0.462 . . . . 25.0 110.964 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -73.79 165.83 31.24 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 121.302 1.335 . . . . 25.0 113.266 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.31 161.58 45.3 Favored 'Trans proline' 0 C--N 1.354 0.841 0 O-C-N 121.946 0.445 . . . . 25.0 113.046 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.23 152.12 44.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.089 -0.505 . . . . 25.0 110.806 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 p -80.98 149.05 29.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.743 -0.662 . . . . 25.0 109.553 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.2 p -150.92 168.32 24.88 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.518 -1.29 . . . . 25.0 107.518 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.17 -27.55 1.59 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 176.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -130.18 162.62 28.48 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.092 -1.818 . . . . 25.0 106.092 173.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -69.75 -25.34 63.78 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.065 0.46 . . . . 25.0 110.001 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 t -68.16 -6.58 24.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -82.97 -13.01 56.81 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.784 0.802 . . . . 50.0 109.504 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.1 m -99.78 172.07 7.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 122.073 0.939 . . . . 25.0 113.233 -175.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -68.14 150.87 47.82 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.118 -1.438 . . . . 25.0 107.118 173.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.89 133.91 56.56 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.86 1.15 60.02 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.979 -0.629 . . . . 25.0 112.042 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.3 m -121.98 163.23 19.69 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.823 -1.547 . . . . 25.0 106.823 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.3 m -133.34 164.59 34.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 38.4 t -94.39 127.33 40.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 175.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.1 169.31 33.3 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 121.312 -0.471 . . . . 25.0 112.788 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.38 -16.54 42.1 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.443 2.762 . . . . 25.0 115.551 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -87.08 0.28 55.5 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.935 -0.478 . . . . 25.0 111.664 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.57 20.14 69.51 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.78 -0.928 . . . . 25.0 110.78 -177.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -128.03 147.94 50.53 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.248 -0.649 . . . . 25.0 109.248 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.2 t -75.93 158.32 32.15 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.284 -0.416 . . . . 25.0 111.444 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 111.499 -0.64 . . . . 50.0 111.499 176.545 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.798 0 N-CA-C 110.741 -0.944 . . . . 25.0 110.741 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.3 m -64.87 138.65 97.54 Favored Pre-proline 0 C--O 1.252 1.23 0 CA-C-N 118.625 1.213 . . . . 25.0 110.245 -177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -77.75 155.62 31.06 Favored 'Trans proline' 0 C--O 1.196 -1.611 0 C-N-CA 115.921 -2.253 . . . . 25.0 116.314 -166.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -125.71 78.18 69.19 Favored Pre-proline 0 C--O 1.253 1.252 0 N-CA-C 105.445 -2.057 . . . . 25.0 105.445 173.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -67.87 -18.91 47.04 Favored 'Trans proline' 0 C--O 1.202 -1.313 0 N-CA-C 117.051 1.904 . . . . 25.0 117.051 -176.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -105.93 -39.47 6.0 Favored 'General case' 0 C--O 1.195 -1.769 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.36 -23.67 35.22 Favored Glycine 0 C--O 1.203 -1.799 0 N-CA-C 109.81 -1.316 . . . . 25.0 109.81 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -104.48 0.25 28.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 122.488 1.137 . . . . 25.0 109.724 174.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -76.07 138.35 68.81 Favored Pre-proline 0 CA--C 1.551 0.995 0 O-C-N 120.952 -1.092 . . . . 25.0 113.052 -173.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -68.46 166.31 26.09 Favored 'Trans proline' 0 C--O 1.22 -0.401 0 C-N-CA 122.049 1.833 . . . . 25.0 112.613 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -69.1 154.23 70.66 Favored 'Trans proline' 0 CA--C 1.507 -0.849 0 C-N-CA 115.406 -2.596 . . . . 25.0 113.328 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.4 pt? -74.87 159.09 32.33 Favored 'General case' 0 C--O 1.247 0.966 0 O-C-N 120.951 -1.093 . . . . 25.0 110.311 176.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.0 p -84.81 158.32 20.71 Favored 'General case' 0 C--O 1.268 2.028 0 CA-C-O 119.225 -0.417 . . . . 25.0 111.154 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.6 p -152.92 167.03 30.48 Favored 'General case' 0 C--O 1.247 0.943 0 O-C-N 124.6 1.188 . . . . 25.0 110.573 175.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.75 -13.11 2.58 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 173.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -145.07 165.98 26.68 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 105.906 -1.887 . . . . 25.0 105.906 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.24 -36.97 78.95 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 171.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -14.64 53.04 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.649 0.981 . . . . 25.0 113.649 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -75.52 -11.57 60.05 Favored 'General case' 0 CA--C 1.497 -1.066 0 CA-C-N 119.156 0.889 . . . . 50.0 110.089 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.446 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 72.5 m -106.34 170.94 7.63 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 122.046 0.926 . . . . 25.0 112.004 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.57 159.56 29.18 Favored 'General case' 0 C--O 1.212 -0.883 0 N-CA-C 108.354 -0.98 . . . . 25.0 108.354 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 126.57 27.85 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 105.947 -1.872 . . . . 25.0 105.947 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.86 -4.6 53.15 Favored Glycine 0 N--CA 1.472 1.058 0 N-CA-C 115.056 0.783 . . . . 25.0 115.056 -174.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 20' ' ' CYS . 82.5 m -121.96 159.32 27.18 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 102.996 -2.965 . . . . 25.0 102.996 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.41 167.62 24.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 118.685 0.675 . . . . 25.0 109.818 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.8 t -102.75 125.0 49.32 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 117.887 0.312 . . . . 25.0 111.228 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -95.37 -179.82 36.54 Favored Glycine 0 CA--C 1.537 1.453 0 CA-C-O 123.041 1.356 . . . . 25.0 114.258 -176.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -75.34 -6.76 18.21 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 N-CA-C 115.741 1.4 . . . . 25.0 115.741 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -88.12 -4.55 58.74 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.8 21.15 69.28 Favored Glycine 0 N--CA 1.471 0.984 0 O-C-N 121.025 -1.047 . . . . 25.0 110.57 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -127.42 146.12 50.59 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 107.2 -1.407 . . . . 25.0 107.2 176.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.6 t -72.68 148.68 44.5 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 124.15 0.906 . . . . 25.0 108.737 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.867 0 N-CA-C 109.15 -1.58 . . . . 50.0 109.15 -177.09 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.417 -2.587 0 N-CA-C 111.484 -0.646 . . . . 25.0 111.484 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.3 m -66.39 152.89 93.86 Favored Pre-proline 0 CA--C 1.505 -0.752 0 N-CA-C 115.221 1.563 . . . . 25.0 115.221 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD2' HD12 ' A' ' 21' ' ' LEU . 73.4 Cg_endo -77.44 154.45 31.62 Favored 'Trans proline' 0 C--O 1.207 -1.045 0 C-N-CA 117.814 -0.991 . . . . 25.0 113.705 -178.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -154.32 148.52 19.17 Favored Pre-proline 0 CA--C 1.483 -1.616 0 N-CA-C 105.124 -2.176 . . . . 25.0 105.124 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -72.67 -22.43 20.71 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 123.195 2.597 . . . . 25.0 116.876 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 -143.08 158.26 43.77 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 100.456 -3.905 . . . . 25.0 100.456 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.32 10.7 67.35 Favored Glycine 0 C--O 1.19 -2.606 0 C-N-CA 120.652 -0.785 . . . . 25.0 113.159 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -90.01 -31.7 17.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.363 0.582 . . . . 25.0 111.347 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -72.29 144.37 86.88 Favored Pre-proline 0 C--O 1.241 0.617 0 C-N-CA 118.77 -1.172 . . . . 25.0 113.507 -174.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.71 159.48 50.74 Favored 'Trans proline' 0 C--O 1.211 -0.869 0 O-C-N 123.749 1.394 . . . . 25.0 114.721 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -65.55 155.16 70.4 Favored 'Trans proline' 0 C--O 1.216 -0.585 0 C-N-CA 115.944 -2.237 . . . . 25.0 113.474 172.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.22 157.09 38.29 Favored 'General case' 0 C--O 1.254 1.327 0 O-C-N 122.329 -0.232 . . . . 25.0 110.833 178.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.5 p -78.87 151.49 31.77 Favored 'General case' 0 C--O 1.27 2.141 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.7 p -150.69 170.25 19.64 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 123.879 0.737 . . . . 25.0 110.452 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.6 -15.39 1.61 Allowed 'General case' 0 C--O 1.241 0.616 0 N-CA-C 110.176 -0.305 . . . . 25.0 110.176 170.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -138.9 165.36 27.27 Favored 'General case' 0 CA--C 1.558 1.257 0 N-CA-C 102.729 -3.063 . . . . 25.0 102.729 172.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -70.71 -25.32 62.9 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.016 -0.427 . . . . 25.0 111.815 176.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -12.63 53.83 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 178.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -76.23 -16.14 59.88 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 121.322 0.582 . . . . 50.0 109.995 177.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 t -109.59 -169.07 1.41 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.671 0.748 . . . . 25.0 112.409 -175.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.411 HD12 ' HD2' ' A' ' 3' ' ' PRO . 60.5 mt -78.03 156.28 30.19 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 107.202 -1.407 . . . . 25.0 107.202 -174.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.65 130.77 46.48 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 105.965 -1.865 . . . . 25.0 105.965 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.53 -14.5 65.15 Favored Glycine 0 C--N 1.35 1.337 0 N-CA-C 115.818 1.087 . . . . 25.0 115.818 -176.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.445 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 33.3 m -87.13 166.19 15.17 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 105.289 -2.115 . . . . 25.0 105.289 176.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.13 174.03 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 120.368 -0.533 . . . . 25.0 110.2 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.4 t -121.31 118.29 29.14 Favored 'General case' 0 N--CA 1.44 -0.971 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.24 177.3 42.6 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 123.031 1.351 . . . . 25.0 113.085 -176.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.09 -13.89 26.02 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 N-CA-C 114.746 1.018 . . . . 25.0 114.746 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -76.67 -3.95 40.63 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 176.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.97 19.25 70.5 Favored Glycine 0 N--CA 1.473 1.147 0 O-C-N 120.842 -1.161 . . . . 25.0 112.305 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -127.09 145.91 50.56 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 37.2 t -70.27 143.44 52.1 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 114.238 -1.346 . . . . 25.0 110.862 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.667 -1.074 . . . . 50.0 111.13 177.709 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 N-CA-C 110.999 -0.84 . . . . 25.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m 60.21 157.17 0.11 Allowed Pre-proline 0 N--CA 1.478 0.927 0 N-CA-C 118.847 2.906 . . . . 25.0 118.847 175.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -78.03 153.95 29.06 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 115.549 -2.501 . . . . 25.0 114.459 -177.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.69 144.68 42.98 Favored Pre-proline 0 C--O 1.263 1.796 0 N-CA-C 105.727 -1.953 . . . . 25.0 105.727 178.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -73.81 -20.45 19.87 Favored 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 121.88 1.72 . . . . 25.0 113.659 176.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -138.96 -48.07 0.49 Allowed 'General case' 0 C--O 1.188 -2.154 0 CA-C-O 122.381 1.086 . . . . 25.0 110.796 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.44 -7.31 81.63 Favored Glycine 0 C--O 1.198 -2.152 0 O-C-N 120.802 -1.186 . . . . 25.0 112.995 174.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -84.26 -7.93 59.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 122.952 1.358 . . . . 25.0 110.305 175.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.8 157.03 69.85 Favored Pre-proline 0 CA--C 1.55 0.969 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 -176.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -64.67 167.41 15.41 Favored 'Trans proline' 0 C--O 1.206 -1.075 0 C-N-CA 121.988 1.792 . . . . 25.0 112.687 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -66.33 153.93 76.16 Favored 'Trans proline' 0 CA--C 1.508 -0.788 1 C-N-CA 112.576 -4.482 . . . . 25.0 113.562 173.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.38 153.47 29.72 Favored 'General case' 0 C--O 1.255 1.392 0 O-C-N 122.175 -0.328 . . . . 25.0 111.027 178.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.5 p -78.88 158.25 28.13 Favored 'General case' 0 C--O 1.272 2.251 0 N-CA-C 112.125 0.417 . . . . 25.0 112.125 -177.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 p -150.28 163.4 38.4 Favored 'General case' 0 C--O 1.253 1.273 0 O-C-N 124.752 1.282 . . . . 25.0 111.152 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.14 -21.45 1.62 Allowed 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 177.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -139.25 168.44 19.83 Favored 'General case' 0 CA--C 1.562 1.428 0 N-CA-C 105.553 -2.017 . . . . 25.0 105.553 171.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -66.74 -26.02 66.78 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.02 -0.536 . . . . 25.0 111.226 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 t -69.65 -14.1 62.64 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 119.55 -0.86 . . . . 25.0 111.232 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -70.01 -16.78 63.22 Favored 'General case' 0 CA--C 1.507 -0.686 0 O-C-N 121.016 -1.052 . . . . 50.0 108.876 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.7 m -104.13 173.23 6.39 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 122.087 0.946 . . . . 25.0 111.298 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 mp -81.0 159.62 24.8 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 106.325 -1.732 . . . . 25.0 106.325 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.74 129.15 38.96 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 105.049 -2.204 . . . . 25.0 105.049 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.19 -8.22 62.65 Favored Glycine 0 N--CA 1.472 1.085 0 O-C-N 124.307 1.005 . . . . 25.0 114.492 -173.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.1 m -114.33 154.15 28.54 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 103.041 -2.948 . . . . 25.0 103.041 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 m -133.89 164.9 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 CA-C-N 118.738 0.699 . . . . 25.0 111.159 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.9 t -101.69 113.84 27.36 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-N 116.307 -0.406 . . . . 25.0 111.74 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.33 177.38 42.5 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-O 123.186 1.437 . . . . 25.0 116.626 -172.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -63.1 -17.61 60.99 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 N-CA-C 116.923 1.855 . . . . 25.0 116.923 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -82.59 -7.27 59.65 Favored 'General case' 0 C--O 1.251 1.176 0 N-CA-C 108.781 -0.822 . . . . 25.0 108.781 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.92 17.84 64.54 Favored Glycine 0 N--CA 1.471 0.967 0 CA-C-O 122.749 1.194 . . . . 25.0 112.159 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -126.61 147.33 49.91 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 107.774 -1.195 . . . . 25.0 107.774 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 t -74.3 148.69 41.18 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 114.161 -1.381 . . . . 25.0 109.598 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.336 0 N-CA-C 110.732 -0.947 . . . . 50.0 110.732 -179.55 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.94 0 N-CA-C 110.103 -1.199 . . . . 25.0 110.103 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.8 m -75.48 140.28 71.96 Favored Pre-proline 0 C--N 1.306 -1.317 0 CA-C-N 118.691 1.245 . . . . 25.0 112.616 -172.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.1 152.73 40.64 Favored 'Trans proline' 0 C--O 1.215 -0.672 0 C-N-CA 115.335 -2.643 . . . . 25.0 113.706 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -95.51 154.29 39.32 Favored Pre-proline 0 C--O 1.275 2.441 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -75.9 161.55 35.97 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 120.83 1.02 . . . . 25.0 111.236 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -59.02 -36.31 74.74 Favored 'General case' 0 C--O 1.176 -2.783 0 CA-C-O 121.694 0.759 . . . . 25.0 109.99 -173.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.2 -45.76 0.49 Allowed Glycine 0 C--O 1.195 -2.313 0 N-CA-C 115.71 1.044 . . . . 25.0 115.71 168.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -90.76 -25.94 19.73 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-O 123.528 1.632 . . . . 25.0 109.229 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -85.86 149.17 50.2 Favored Pre-proline 0 CA--C 1.556 1.188 0 O-C-N 120.521 -1.362 . . . . 25.0 109.759 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -68.95 165.28 30.57 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 121.946 1.764 . . . . 25.0 112.869 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -61.71 164.72 15.32 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 116.384 -1.944 . . . . 25.0 112.284 173.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.55 149.73 45.6 Favored 'General case' 0 C--O 1.263 1.77 0 O-C-N 121.316 -0.865 . . . . 25.0 112.314 -177.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.7 p -93.51 164.0 13.35 Favored 'General case' 0 C--O 1.258 1.52 0 N-CA-C 112.932 0.715 . . . . 25.0 112.932 -177.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.7 p -154.23 159.27 41.25 Favored 'General case' 0 C--O 1.26 1.635 0 N-CA-C 108.883 -0.784 . . . . 25.0 108.883 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.34 -12.4 7.32 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 121.243 0.544 . . . . 25.0 109.58 176.17 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -145.36 164.39 31.63 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 105.274 -2.121 . . . . 25.0 105.274 174.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -56.96 -39.47 74.65 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.088 0.867 . . . . 25.0 112.194 172.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -15.14 51.62 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.946 1.462 . . . . 25.0 114.946 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -76.53 -9.72 58.86 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 118.66 0.664 . . . . 50.0 111.389 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.3 m -94.35 174.81 6.95 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.29 1.219 . . . . 25.0 114.29 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mp -80.3 161.49 25.06 Favored 'General case' 0 C--O 1.209 -1.058 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.87 124.49 20.33 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 121.291 -0.881 . . . . 25.0 109.036 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.8 -10.27 66.28 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 116.407 1.323 . . . . 25.0 116.407 -175.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -104.98 159.55 15.72 Favored 'General case' 0 CA--C 1.499 -1.007 0 N-CA-C 107.157 -1.423 . . . . 25.0 107.157 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.6 m -129.51 166.68 26.48 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 108.328 -0.99 . . . . 25.0 108.328 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.2 t -94.84 132.39 39.69 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-O 119.042 -0.504 . . . . 25.0 110.475 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.92 174.1 29.89 Favored Glycine 0 C--O 1.253 1.343 0 CA-C-O 122.89 1.272 . . . . 25.0 114.611 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -76.34 -10.33 19.05 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 N-CA-C 115.23 1.204 . . . . 25.0 115.23 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -90.36 0.9 57.06 Favored 'General case' 0 C--O 1.25 1.128 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 176.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.45 11.06 75.87 Favored Glycine 0 C--O 1.249 1.044 0 CA-C-O 122.519 1.066 . . . . 25.0 113.149 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -115.2 149.68 37.31 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.41 -1.33 . . . . 25.0 107.41 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.0 t -74.49 152.13 39.44 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 107.55 -1.278 . . . . 25.0 107.55 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.886 0 N-CA-C 110.269 -1.133 . . . . 50.0 110.269 -176.897 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.344 0 N-CA-C 111.757 -0.537 . . . . 25.0 111.757 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 62.8 m -71.16 156.51 91.77 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 122.777 0.431 . . . . 25.0 110.571 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -77.91 164.34 27.65 Favored 'Trans proline' 0 C--N 1.347 0.499 0 O-C-N 121.71 0.321 . . . . 25.0 112.68 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 57.6 80.86 0.27 Allowed Pre-proline 0 N--CA 1.485 1.292 0 C-N-CA 124.097 0.959 . . . . 25.0 113.314 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -55.23 148.21 51.24 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 121.445 1.43 . . . . 25.0 113.931 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -122.86 4.12 9.42 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.699 -0.682 . . . . 25.0 112.544 -174.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.96 -162.27 15.46 Favored Glycine 0 C--N 1.321 -0.27 0 N-CA-C 109.494 -1.442 . . . . 25.0 109.494 -173.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -73.79 20.07 0.1 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.644 1.177 . . . . 25.0 114.084 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -53.76 144.99 32.9 Favored Pre-proline 0 CA--C 1.555 1.167 0 N-CA-C 114.493 1.294 . . . . 25.0 114.493 -176.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -74.5 159.61 42.75 Favored 'Trans proline' 0 C--O 1.238 0.496 0 N-CA-C 113.164 0.409 . . . . 25.0 113.164 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -73.25 155.51 51.5 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 117.58 -1.147 . . . . 25.0 113.002 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.2 pt? -78.23 159.57 28.44 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 174.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.1 p -77.97 153.68 32.25 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.415 -0.957 . . . . 25.0 108.415 174.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 p -156.09 165.5 36.25 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.385 -0.969 . . . . 25.0 108.385 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.24 -17.38 3.03 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.829 -0.623 . . . . 25.0 109.544 174.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -141.95 161.01 39.04 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 104.845 -2.28 . . . . 25.0 104.845 175.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -69.55 -25.77 64.17 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.953 0.406 . . . . 25.0 110.338 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -14.25 26.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.225 1.194 . . . . 25.0 114.225 177.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -79.18 -15.1 58.58 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.399 0.619 . . . . 50.0 110.162 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.3 m -106.85 170.17 8.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.773 -0.649 . . . . 25.0 110.363 -177.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.62 152.47 35.86 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.054 -1.091 . . . . 25.0 108.054 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.86 133.37 54.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.18 -15.45 30.52 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 110.442 -1.063 . . . . 25.0 110.442 -175.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 m -113.84 164.99 13.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.988 -1.116 . . . . 25.0 107.988 175.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -136.09 167.67 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.0 t -100.5 130.0 46.52 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 175.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -97.46 169.07 24.5 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.876 -0.678 . . . . 25.0 112.956 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -60.16 -16.49 40.4 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 124.173 3.249 . . . . 25.0 115.58 -177.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -84.45 -1.51 55.76 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.574 -0.285 . . . . 25.0 111.717 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.19 19.05 70.38 Favored Glycine 0 N--CA 1.459 0.217 0 N-CA-C 110.457 -1.057 . . . . 25.0 110.457 -176.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -128.6 149.14 50.77 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 t -72.24 162.34 29.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.807 -1.088 . . . . 25.0 111.056 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 CA-C-O 117.784 -1.564 . . . . 50.0 109.806 177.665 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.357 0 N-CA-C 111.108 -0.797 . . . . 25.0 111.108 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.5 m -71.16 157.89 89.25 Favored Pre-proline 0 CA--C 1.552 1.038 0 CA-C-O 121.237 0.542 . . . . 25.0 109.646 -173.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -70.7 144.28 48.58 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 N-CA-C 114.455 0.906 . . . . 25.0 114.455 -176.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.8 ptt85 -128.93 78.96 75.44 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-N 115.693 -0.685 . . . . 25.0 109.269 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -77.12 -6.72 16.81 Favored 'Trans proline' 0 C--O 1.213 -0.759 0 N-CA-C 114.887 1.072 . . . . 25.0 114.887 -173.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -122.87 -40.65 2.41 Favored 'General case' 0 C--O 1.207 -1.133 0 N-CA-C 112.604 0.594 . . . . 25.0 112.604 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.77 6.92 88.46 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 120.276 -0.964 . . . . 25.0 111.962 -173.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -127.46 -26.79 2.97 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 122.137 0.97 . . . . 25.0 113.198 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.72 148.77 62.45 Favored Pre-proline 0 CA--C 1.546 0.815 0 N-CA-C 109.148 -0.686 . . . . 25.0 109.148 -174.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.82 162.71 37.02 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.937 2.425 . . . . 25.0 114.777 -176.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.21 160.68 48.88 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 117.936 -0.909 . . . . 25.0 113.158 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.73 154.39 34.15 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.378 -0.828 . . . . 25.0 109.013 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -81.08 152.93 27.61 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.786 -0.188 . . . . 25.0 111.217 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 p -154.96 170.37 21.89 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-O 122.444 1.116 . . . . 25.0 108.947 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -138.05 -28.62 0.86 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.358 -1.292 . . . . 25.0 108.645 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -133.75 162.76 31.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.67 -1.604 . . . . 25.0 106.67 173.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -66.46 -27.14 67.58 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.02 -1.05 . . . . 25.0 110.787 -177.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.3 t -68.35 -7.78 34.23 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 112.57 0.582 . . . . 25.0 112.57 -177.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -80.52 -8.53 59.61 Favored 'General case' 0 C--O 1.248 1.014 0 N-CA-C 109.106 -0.701 . . . . 50.0 109.106 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 70.8 m -112.24 170.82 7.9 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 122.041 0.924 . . . . 25.0 112.039 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.6 mt -74.78 157.64 34.84 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 176.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 129.97 43.42 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.06 1.45 59.63 Favored Glycine 0 CA--C 1.518 0.22 0 CA-C-N 115.122 -0.945 . . . . 25.0 113.389 -176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 20' ' ' CYS . 62.8 m -118.08 162.32 18.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 105.367 -2.086 . . . . 25.0 105.367 176.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.62 164.58 34.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 C-N-CA 123.179 0.591 . . . . 25.0 111.19 -176.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.8 t -105.09 119.58 39.38 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.529 -0.915 . . . . 25.0 108.529 174.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -89.84 171.37 37.51 Favored Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 115.465 0.946 . . . . 25.0 115.465 -176.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -61.66 -14.87 38.38 Favored 'Trans proline' 0 C--O 1.215 -0.666 0 C-N-CA 122.862 2.375 . . . . 25.0 114.559 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -85.58 -3.96 59.02 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.099 -0.5 . . . . 25.0 111.372 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.47 20.55 71.56 Favored Glycine 0 C--N 1.32 -0.32 0 N-CA-C 110.62 -0.992 . . . . 25.0 110.62 -175.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -128.03 145.9 50.84 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.2 t -76.66 155.08 33.68 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.124 -1.398 . . . . 25.0 109.894 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.681 0 CA-C-O 118.006 -1.441 . . . . 50.0 109.709 176.337 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.769 0 N-CA-C 111.553 -0.619 . . . . 25.0 111.553 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 95.4 m -56.6 142.97 69.45 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 -175.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.19 140.1 19.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 116.916 -1.589 . . . . 25.0 112.586 -177.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 42.45 63.01 7.49 Favored Pre-proline 0 N--CA 1.481 1.097 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -70.81 152.55 63.96 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 117.88 -0.946 . . . . 25.0 112.827 -176.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -68.58 -42.67 77.93 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.077 -0.51 . . . . 25.0 112.238 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.75 -24.74 5.64 Favored Glycine 0 C--O 1.216 -0.988 0 C-N-CA 121.614 -0.327 . . . . 25.0 113.29 -175.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -100.47 20.75 14.35 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.66 1.184 . . . . 25.0 110.407 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -134.7 148.46 67.34 Favored Pre-proline 0 CA--C 1.539 0.533 0 O-C-N 121.238 -0.914 . . . . 25.0 110.081 -173.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -77.87 160.56 30.65 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 121.118 1.212 . . . . 25.0 112.842 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -72.51 152.92 54.89 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 116.336 -1.976 . . . . 25.0 112.343 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -102.9 155.26 18.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.72 -0.845 . . . . 25.0 108.72 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.3 p -80.71 156.77 26.11 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.939 -0.393 . . . . 25.0 109.939 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.1 p -155.28 164.32 38.94 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.267 -1.383 . . . . 25.0 107.267 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.85 -15.44 3.03 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 174.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -145.98 162.74 37.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 105.032 -2.21 . . . . 25.0 105.032 174.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -71.72 -25.63 62.15 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.111 0.481 . . . . 25.0 109.746 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -11.82 14.12 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 114.392 1.256 . . . . 25.0 114.392 177.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -78.89 -10.03 59.68 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.115 0.483 . . . . 50.0 110.403 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.2 m -122.91 -178.61 3.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.42 0.628 . . . . 25.0 112.221 -173.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.6 mt -67.41 150.53 48.8 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 177.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.45 130.17 45.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 174.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.89 -30.32 8.83 Favored Glycine 0 C--O 1.23 -0.11 0 N-CA-C 110.772 -0.931 . . . . 25.0 110.772 -176.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m -71.78 161.76 30.47 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 173.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.8 151.21 34.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 173.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.9 t -94.64 124.13 38.5 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.125 -1.435 . . . . 25.0 107.125 176.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.88 166.37 31.21 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.728 -0.749 . . . . 25.0 113.424 -175.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -61.41 -15.47 41.02 Favored 'Trans proline' 0 C--O 1.22 -0.391 0 C-N-CA 123.682 2.922 . . . . 25.0 115.333 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -85.55 0.8 51.42 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 111.817 0.302 . . . . 25.0 111.817 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.33 20.05 70.35 Favored Glycine 0 C--O 1.225 -0.415 0 C-N-CA 120.74 -0.743 . . . . 25.0 111.479 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -128.83 145.24 51.25 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 t -87.1 154.99 20.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.464 -0.789 . . . . 25.0 110.952 -175.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.146 0 CA-C-O 119.594 -0.559 . . . . 50.0 113.655 178.328 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.141 0 N-CA-C 110.3 -0.259 . . . . 25.0 110.3 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.6 p -80.21 160.15 25.71 Favored 'General case' 0 C--O 1.27 2.149 0 N-CA-C 113.237 0.828 . . . . 25.0 113.237 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.2 p -151.72 173.19 15.01 Favored 'General case' 0 C--O 1.251 1.137 0 O-C-N 124.711 1.257 . . . . 25.0 108.238 172.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.63 -21.64 0.9 Allowed 'General case' 0 C--O 1.244 0.799 0 C-N-CA 123.089 0.555 . . . . 25.0 109.939 170.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 174.153 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt . . . . . 0 C--O 1.216 -0.697 0 N-CA-C 107.342 -1.355 . . . . 25.0 107.342 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.97 141.46 49.58 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 174.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.56 -20.58 47.64 Favored Glycine 0 C--N 1.346 1.108 0 N-CA-C 114.758 0.663 . . . . 25.0 114.758 -174.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.2 m -98.64 160.58 14.18 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 106.482 -1.673 . . . . 25.0 106.482 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.1 m -133.66 168.62 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.3 t -109.56 122.92 48.52 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 120.906 -0.317 . . . . 25.0 111.214 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.86 179.91 38.56 Favored Glycine 0 CA--C 1.533 1.169 0 N-CA-C 116.681 1.432 . . . . 25.0 116.681 -173.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.62 -14.89 22.0 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 N-CA-C 116.115 1.544 . . . . 25.0 116.115 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -87.82 -0.15 56.57 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 118.453 0.569 . . . . 25.0 109.642 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.9 19.25 68.03 Favored Glycine 0 N--CA 1.469 0.842 0 CA-C-O 122.032 0.796 . . . . 25.0 111.693 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -120.27 146.12 46.4 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.0 t -76.79 148.7 36.46 Favored 'General case' 0 C--O 1.208 -1.093 0 O-C-N 124.724 1.265 . . . . 25.0 109.597 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.849 0 N-CA-C 110.19 -1.164 . . . . 50.0 110.19 -177.49 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.257 1.489 0 CA-C-O 120.947 0.403 . . . . 25.0 110.908 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -79.21 156.07 28.33 Favored 'General case' 0 C--O 1.277 2.513 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 p -149.65 170.5 18.55 Favored 'General case' 0 C--O 1.25 1.097 0 O-C-N 125.127 1.517 . . . . 25.0 109.738 171.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.95 -20.91 0.79 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 109.036 -0.727 . . . . 25.0 109.036 174.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 . . . . . 0 CA--C 1.553 1.082 0 N-CA-C 104.748 -2.315 . . . . 25.0 104.748 172.129 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--O 1.201 -1.465 0 CA-C-O 122.01 0.909 . . . . 25.0 108.559 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.42 133.6 56.24 Favored 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 108.142 -1.059 . . . . 25.0 108.142 174.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.52 -4.75 73.41 Favored Glycine 0 C--N 1.353 1.489 0 CA-C-O 119.619 -0.545 . . . . 25.0 113.452 -174.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.7 m -125.42 155.34 40.57 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 105.849 -1.908 . . . . 25.0 105.849 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -136.65 167.34 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 -175.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.0 t -101.69 127.62 48.36 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.31 168.51 25.64 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.011 -1.09 . . . . 25.0 112.489 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -59.12 -21.18 58.06 Favored 'Trans proline' 0 N--CA 1.489 1.226 0 N-CA-C 116.386 1.649 . . . . 25.0 116.386 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -80.99 -4.31 54.65 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-O 118.831 -0.604 . . . . 25.0 110.805 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.23 22.2 55.1 Favored Glycine 0 N--CA 1.474 1.169 0 CA-C-N 119.421 1.01 . . . . 25.0 110.745 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -129.83 144.88 51.53 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.231 -1.025 . . . . 25.0 108.231 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 t -71.14 152.71 43.15 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 123.89 0.876 . . . . 25.0 109.728 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.958 0 N-CA-C 107.353 -2.299 . . . . 50.0 107.353 -179.516 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.238 0.486 0 CA-C-O 120.638 0.256 . . . . 25.0 110.531 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.71 151.66 23.68 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 122.787 0.435 . . . . 25.0 110.206 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.1 p -148.57 162.03 40.48 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 175.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.61 -5.41 3.68 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 123.559 0.744 . . . . 25.0 110.182 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 . . . . . 0 C--N 1.324 -0.532 0 N-CA-C 103.725 -2.694 . . . . 25.0 103.725 176.802 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.6 mt . . . . . 0 CA--C 1.511 -0.544 0 N-CA-C 106.688 -1.597 . . . . 25.0 106.688 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.73 128.87 38.71 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.978 -1.119 . . . . 25.0 107.978 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.05 -2.74 55.27 Favored Glycine 0 C--N 1.333 0.394 0 N-CA-C 111.178 -0.769 . . . . 25.0 111.178 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.9 m -121.01 155.27 34.69 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 106.945 -1.502 . . . . 25.0 106.945 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.66 167.4 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.933 0.397 . . . . 25.0 110.605 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.4 t -102.06 118.71 37.47 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 108.128 -1.064 . . . . 25.0 108.128 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.67 177.39 51.28 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 115.046 0.779 . . . . 25.0 115.046 -174.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.29 -10.0 25.08 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 N-CA-C 115.347 1.249 . . . . 25.0 115.347 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -93.45 0.66 56.86 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.036 -0.529 . . . . 25.0 110.869 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.9 20.52 75.96 Favored Glycine 0 C--O 1.241 0.535 0 C-N-CA 120.838 -0.696 . . . . 25.0 112.288 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -116.22 145.9 42.76 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.5 t -72.32 148.44 45.35 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.873 0 CA-C-O 117.809 -1.55 . . . . 50.0 110.72 178.85 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 C--O 1.254 1.331 0 N-CA-C 111.624 0.231 . . . . 25.0 111.624 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 p -81.54 156.13 25.39 Favored 'General case' 0 C--O 1.27 2.133 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 21.0 p -141.49 171.19 14.4 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 125.094 1.497 . . . . 25.0 110.834 173.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.34 -23.96 0.73 Allowed 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 171.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 . . . . . 0 CA--C 1.547 0.848 0 N-CA-C 105.023 -2.214 . . . . 25.0 105.023 171.56 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.5 mt . . . . . 0 N--CA 1.444 -0.767 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.05 128.28 36.03 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 107.521 -1.289 . . . . 25.0 107.521 175.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.03 -10.26 58.41 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 124.134 0.896 . . . . 25.0 114.136 -172.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.7 m -111.23 160.62 16.81 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 104.617 -2.364 . . . . 25.0 104.617 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.4 m -129.54 174.29 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.5 t -121.65 122.68 40.14 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 118.635 -0.698 . . . . 25.0 109.246 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -108.73 179.0 21.19 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 122.95 1.306 . . . . 25.0 115.796 -174.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -62.37 -15.07 42.69 Favored 'Trans proline' 0 C--O 1.201 -1.354 0 N-CA-C 116.669 1.757 . . . . 25.0 116.669 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -80.85 -4.62 55.41 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-N 119.22 0.918 . . . . 25.0 108.853 177.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.02 18.69 76.34 Favored Glycine 0 C--O 1.25 1.116 0 CA-C-O 122.301 0.945 . . . . 25.0 111.56 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -123.69 143.15 50.45 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 109.006 -0.738 . . . . 25.0 109.006 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 21.7 m -67.21 143.96 56.24 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 105.785 -1.931 . . . . 25.0 105.785 175.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.218 0 CA-C-O 118.378 -1.235 . . . . 50.0 110.164 -176.45 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.26 1.618 0 N-CA-C 108.856 -0.794 . . . . 25.0 108.856 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 p -76.77 154.46 33.99 Favored 'General case' 0 C--O 1.272 2.288 0 O-C-N 121.92 -0.488 . . . . 25.0 110.416 175.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.3 p -150.63 161.61 42.25 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 124.561 1.163 . . . . 25.0 109.077 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.32 -20.39 3.01 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 173.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 . . . . . 0 CA--C 1.555 1.139 0 N-CA-C 103.485 -2.783 . . . . 25.0 103.485 171.628 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.437 -1.11 0 CA-C-O 122.542 1.163 . . . . 25.0 108.065 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 137.57 57.89 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 121.604 -0.685 . . . . 25.0 109.71 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.1 -5.8 84.35 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-N 115.071 -0.968 . . . . 25.0 114.729 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 25.4 m -113.41 161.63 17.08 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.181 -1.785 . . . . 25.0 106.181 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -132.67 170.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.9 t -109.37 150.37 28.14 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.04 170.66 20.09 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.416 -0.897 . . . . 25.0 113.282 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.32 -17.08 38.0 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 N-CA-C 117.14 1.938 . . . . 25.0 117.14 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -70.36 -17.68 63.05 Favored 'General case' 0 C--O 1.261 1.674 0 CA-C-N 118.148 0.431 . . . . 25.0 110.066 175.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.33 17.51 60.53 Favored Glycine 0 N--CA 1.472 1.038 0 CA-C-O 122.868 1.26 . . . . 25.0 111.7 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -133.62 147.68 51.49 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 107.116 -1.438 . . . . 25.0 107.116 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.1 t -70.3 151.45 45.27 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 124.95 1.406 . . . . 25.0 111.62 -175.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.771 0 N-CA-C 109.24 -1.544 . . . . 50.0 109.24 -179.796 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.266 1.97 0 CA-C-O 121.066 0.46 . . . . 25.0 111.898 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -89.86 152.26 21.35 Favored 'General case' 0 C--O 1.272 2.238 0 CA-C-N 115.83 -0.623 . . . . 25.0 111.278 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.3 p -149.05 165.48 31.57 Favored 'General case' 0 C--O 1.258 1.539 0 O-C-N 124.255 0.972 . . . . 25.0 109.889 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.49 -5.57 3.73 Favored 'General case' 0 C--O 1.256 1.399 0 CA-C-O 120.759 0.314 . . . . 25.0 111.077 174.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 . . . . . 0 CA--C 1.561 1.368 0 N-CA-C 105.635 -1.987 . . . . 25.0 105.635 174.408 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--O 1.216 -0.693 0 CA-C-O 122.534 1.159 . . . . 25.0 108.537 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.45 140.28 56.34 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.54 -3.5 85.16 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-O 118.867 -0.963 . . . . 25.0 114.658 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m -118.17 158.44 25.09 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 106.958 -1.497 . . . . 25.0 106.958 -177.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -133.44 172.24 16.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 106.366 -1.716 . . . . 25.0 106.366 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.9 t -110.73 133.06 53.67 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.9 175.65 24.27 Favored Glycine 0 N--CA 1.432 -1.579 0 N-CA-C 115.712 1.045 . . . . 25.0 115.712 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.89 -16.63 50.66 Favored 'Trans proline' 0 C--O 1.199 -1.468 0 N-CA-C 117.358 2.022 . . . . 25.0 117.358 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -85.71 -2.09 57.85 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-O 118.842 -0.599 . . . . 25.0 110.173 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.33 19.41 71.82 Favored Glycine 0 N--CA 1.472 1.077 0 CA-C-N 119.284 0.947 . . . . 25.0 111.883 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -123.77 149.37 45.71 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 106.45 -1.685 . . . . 25.0 106.45 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.8 t -70.95 148.37 47.76 Favored 'General case' 0 CA--C 1.519 -0.25 0 O-C-N 124.584 1.177 . . . . 25.0 109.211 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.172 0 CA-C-O 118.086 -1.397 . . . . 50.0 110.276 178.633 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 C--O 1.254 1.317 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.95 157.84 29.56 Favored 'General case' 0 C--O 1.272 2.245 0 O-C-N 122.257 -0.277 . . . . 25.0 111.674 174.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.428 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 30.8 p -142.51 164.92 28.81 Favored 'General case' 0 C--O 1.251 1.174 0 O-C-N 124.37 1.044 . . . . 25.0 112.079 173.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -140.71 -9.26 1.06 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 . . . . . 0 CA--C 1.553 1.094 0 N-CA-C 106.177 -1.786 . . . . 25.0 106.177 169.895 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.9 mt . . . . . 0 N--CA 1.443 -0.783 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.97 134.34 31.96 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 108.171 -1.048 . . . . 25.0 108.171 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.7 -14.66 60.34 Favored Glycine 0 C--N 1.341 0.813 0 N-CA-C 115.659 1.024 . . . . 25.0 115.659 -174.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 m -119.37 149.82 41.19 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 106.278 -1.749 . . . . 25.0 106.278 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.9 m -125.69 168.48 18.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.7 t -93.18 119.55 32.5 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.968 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.07 179.03 40.82 Favored Glycine 0 C--O 1.247 0.955 0 CA-C-O 122.875 1.264 . . . . 25.0 115.703 -174.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -75.26 -12.48 21.02 Favored 'Trans proline' 0 N--CA 1.502 1.993 0 N-CA-C 114.994 1.113 . . . . 25.0 114.994 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -82.98 -5.58 59.14 Favored 'General case' 0 C--O 1.255 1.348 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.28 19.25 59.16 Favored Glycine 0 N--CA 1.468 0.828 0 CA-C-O 122.021 0.789 . . . . 25.0 111.428 -177.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -127.59 144.74 51.04 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.299 0.639 . . . . 25.0 109.999 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 16.0 m -69.71 143.16 53.17 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 107.138 -1.43 . . . . 25.0 107.138 177.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.869 0 N-CA-C 110.327 -1.109 . . . . 50.0 110.327 -175.192 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--O 1.245 0.841 0 N-CA-C 110.356 -0.238 . . . . 25.0 110.356 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.31 147.41 29.9 Favored 'General case' 0 C--O 1.271 2.233 0 N-CA-C 113.0 0.741 . . . . 25.0 113.0 -177.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.2 p -144.3 171.68 13.98 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 124.349 1.031 . . . . 25.0 109.539 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.27 -16.61 1.21 Allowed 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 172.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 . . . . . 0 CA--C 1.56 1.338 0 N-CA-C 104.036 -2.579 . . . . 25.0 104.036 171.199 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.9 mt . . . . . 0 CA--C 1.537 0.459 0 N-CA-C 108.074 -1.084 . . . . 25.0 108.074 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.31 134.83 55.45 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 106.597 -1.631 . . . . 25.0 106.597 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.78 -11.88 69.27 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-N 116.07 -0.514 . . . . 25.0 114.314 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.42 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 81.8 m -93.24 168.22 11.23 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 106.842 -1.54 . . . . 25.0 106.842 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 m -131.8 171.15 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 174.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.2 t -114.9 120.73 40.95 Favored 'General case' 0 CA--C 1.558 1.278 0 N-CA-C 106.0 -1.852 . . . . 25.0 106.0 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.87 177.73 33.04 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-O 123.476 1.598 . . . . 25.0 115.889 -172.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.05 -14.26 42.41 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 N-CA-C 115.916 1.468 . . . . 25.0 115.916 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -83.04 -6.62 59.56 Favored 'General case' 0 C--O 1.259 1.562 0 O-C-N 123.556 0.535 . . . . 25.0 110.128 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.12 22.11 66.31 Favored Glycine 0 N--CA 1.472 1.05 0 N-CA-C 110.546 -1.021 . . . . 25.0 110.546 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -127.39 145.71 50.72 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 106.788 -1.56 . . . . 25.0 106.788 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 49.2 t -68.99 141.19 54.98 Favored 'General case' 0 C--O 1.209 -1.04 0 C-N-CA 124.851 1.26 . . . . 25.0 108.8 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.74 0 CA-C-O 117.942 -1.477 . . . . 50.0 109.45 174.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.27 2.159 0 CA-C-O 119.819 -0.134 . . . . 25.0 110.949 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.7 p -80.94 149.72 29.28 Favored 'General case' 0 C--O 1.278 2.604 0 O-C-N 121.843 -0.536 . . . . 25.0 111.171 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -148.57 173.05 13.56 Favored 'General case' 0 C--O 1.255 1.394 0 O-C-N 123.92 0.762 . . . . 25.0 109.487 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.58 -21.22 0.74 Allowed 'General case' 0 C--O 1.242 0.661 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 170.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 . . . . . 0 CA--C 1.546 0.811 0 N-CA-C 106.142 -1.799 . . . . 25.0 106.142 172.759 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.44 -0.97 0 N-CA-C 106.177 -1.786 . . . . 25.0 106.177 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.36 143.38 53.19 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 106.694 -1.595 . . . . 25.0 106.694 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.57 -1.75 87.24 Favored Glycine 0 N--CA 1.472 1.095 0 N-CA-C 115.731 1.052 . . . . 25.0 115.731 -175.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.0 m -121.21 161.57 21.67 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.9 m -132.36 167.13 27.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 N-CA-C 109.548 -0.538 . . . . 25.0 109.548 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.1 t -99.79 129.02 45.86 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-O 118.67 -0.681 . . . . 25.0 111.156 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.58 176.86 35.55 Favored Glycine 0 CA--C 1.537 1.426 0 CA-C-O 123.1 1.389 . . . . 25.0 114.938 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.81 -12.65 26.53 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 N-CA-C 115.139 1.169 . . . . 25.0 115.139 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -89.85 1.44 56.18 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 121.847 -0.533 . . . . 25.0 110.451 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.26 21.64 64.55 Favored Glycine 0 N--CA 1.472 1.048 0 C-N-CA 119.864 -1.16 . . . . 25.0 111.416 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -129.52 147.58 51.34 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 106.637 -1.616 . . . . 25.0 106.637 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.57 155.35 40.15 Favored 'General case' 0 CA--C 1.518 -0.279 0 O-C-N 124.945 1.403 . . . . 25.0 110.447 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.433 0 N-CA-C 108.826 -1.71 . . . . 50.0 108.826 -177.944 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.261 1.71 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 p -82.55 155.95 24.24 Favored 'General case' 0 C--O 1.274 2.394 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -150.97 169.66 21.22 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.506 1.129 . . . . 25.0 108.442 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 t -141.33 -18.49 0.79 Allowed 'General case' 0 C--N 1.347 0.471 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 171.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 . . . . . 0 CA--C 1.564 1.486 0 N-CA-C 103.086 -2.931 . . . . 25.0 103.086 169.001 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.0 mt . . . . . 0 CA--C 1.535 0.376 0 CA-C-O 122.443 1.116 . . . . 25.0 109.49 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.67 121.6 12.65 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.69 -10.92 35.32 Favored Glycine 0 C--N 1.347 1.168 0 N-CA-C 115.509 0.964 . . . . 25.0 115.509 -173.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.502 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 78.8 m -101.24 164.41 11.8 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -127.21 170.21 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.4 t -111.55 124.6 52.62 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.74 177.14 38.55 Favored Glycine 0 C--O 1.248 0.997 0 CA-C-O 123.201 1.445 . . . . 25.0 116.131 -174.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.38 -9.41 23.01 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 N-CA-C 114.83 1.05 . . . . 25.0 114.83 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -88.87 -1.98 58.36 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 108.264 -1.013 . . . . 25.0 108.264 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.89 17.97 68.83 Favored Glycine 0 N--CA 1.472 1.067 0 CA-C-N 119.215 0.916 . . . . 25.0 111.795 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -123.27 145.77 48.41 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 43.7 t -65.83 148.14 52.25 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 125.212 1.57 . . . . 25.0 108.705 177.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.832 0 CA-C-O 117.961 -1.466 . . . . 50.0 110.313 -177.912 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.252 1.223 0 N-CA-C 107.453 -1.314 . . . . 25.0 107.453 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -82.52 157.05 23.7 Favored 'General case' 0 C--O 1.272 2.243 0 O-C-N 121.995 -0.441 . . . . 25.0 111.261 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.6 p -150.43 165.97 31.55 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 124.609 1.193 . . . . 25.0 109.854 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.35 -13.36 3.9 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.422 0.451 . . . . 25.0 110.242 176.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 . . . . . 0 CA--C 1.551 1.011 0 N-CA-C 105.774 -1.936 . . . . 25.0 105.774 173.301 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 C--O 1.221 -0.409 0 CA-C-O 122.368 1.08 . . . . 25.0 108.226 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.84 135.35 57.28 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 106.251 -1.759 . . . . 25.0 106.251 173.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.17 -9.08 69.99 Favored Glycine 0 C--N 1.351 1.363 0 N-CA-C 114.582 0.593 . . . . 25.0 114.582 -174.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.3 m -117.64 158.24 24.99 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 107.443 -1.318 . . . . 25.0 107.443 -178.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.1 m -130.55 166.88 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 108.328 -0.99 . . . . 25.0 108.328 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.1 t -102.35 134.56 45.45 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 175.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -103.15 172.65 21.66 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 119.948 -1.12 . . . . 25.0 114.383 -175.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -62.5 -19.86 68.89 Favored 'Trans proline' 0 N--CA 1.49 1.315 0 C-N-CA 120.647 0.898 . . . . 25.0 113.533 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -72.42 -14.17 61.63 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 123.83 0.706 . . . . 25.0 110.594 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.83 12.94 76.3 Favored Glycine 0 C--O 1.247 0.939 0 CA-C-O 122.375 0.986 . . . . 25.0 111.102 -176.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -122.44 147.87 45.8 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.7 t -73.54 149.53 42.13 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 125.348 1.655 . . . . 25.0 109.792 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.079 -1.401 . . . . 50.0 111.878 -177.4 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.253 1.244 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 p -86.18 150.58 24.3 Favored 'General case' 0 C--O 1.262 1.729 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.2 p -147.07 166.57 26.5 Favored 'General case' 0 C--O 1.25 1.085 0 O-C-N 125.062 1.476 . . . . 25.0 110.005 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.63 -9.33 2.45 Favored 'General case' 0 C--O 1.252 1.221 0 N-CA-C 109.257 -0.646 . . . . 25.0 109.257 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 105.327 -2.101 . . . . 25.0 105.327 175.117 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.3 mt . . . . . 0 C--O 1.208 -1.092 0 CA-C-O 122.142 0.972 . . . . 25.0 108.612 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.68 131.98 50.77 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 106.126 -1.805 . . . . 25.0 106.126 173.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.89 -8.56 65.57 Favored Glycine 0 N--CA 1.476 1.337 0 C-N-CA 120.549 -0.834 . . . . 25.0 115.053 -172.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.7 m -118.47 151.8 37.13 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 103.534 -2.765 . . . . 25.0 103.534 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.13 161.32 41.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.8 t -103.22 125.5 49.92 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.12 178.73 26.99 Favored Glycine 0 N--CA 1.432 -1.586 0 CA-C-O 122.967 1.315 . . . . 25.0 116.301 -174.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -64.6 -15.94 52.63 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.789 2.326 . . . . 25.0 116.158 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -87.17 -1.63 58.03 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.79 15.71 78.76 Favored Glycine 0 N--CA 1.467 0.72 0 N-CA-C 110.526 -1.03 . . . . 25.0 110.526 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -121.25 149.79 42.34 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 t -78.23 150.57 33.43 Favored 'General case' 0 C--O 1.221 -0.433 0 O-C-N 124.83 1.332 . . . . 25.0 108.947 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.143 -1.365 . . . . 50.0 111.422 -179.594 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.079 0.466 . . . . 25.0 110.806 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 p -80.98 149.05 29.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.743 -0.662 . . . . 25.0 109.553 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.2 p -150.92 168.32 24.88 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.518 -1.29 . . . . 25.0 107.518 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.17 -27.55 1.59 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 176.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 . . . . . 0 C--N 1.326 -0.437 0 N-CA-C 106.092 -1.818 . . . . 25.0 106.092 173.457 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 mm? . . . . . 0 N--CA 1.455 -0.192 0 N-CA-C 107.118 -1.438 . . . . 25.0 107.118 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.89 133.91 56.56 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.86 1.15 60.02 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.979 -0.629 . . . . 25.0 112.042 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.3 m -121.98 163.23 19.69 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.823 -1.547 . . . . 25.0 106.823 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.3 m -133.34 164.59 34.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 38.4 t -94.39 127.33 40.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 175.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.1 169.31 33.3 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 121.312 -0.471 . . . . 25.0 112.788 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.38 -16.54 42.1 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.443 2.762 . . . . 25.0 115.551 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -87.08 0.28 55.5 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.935 -0.478 . . . . 25.0 111.664 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.57 20.14 69.51 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.78 -0.928 . . . . 25.0 110.78 -177.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -128.03 147.94 50.53 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.248 -0.649 . . . . 25.0 109.248 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.2 t -75.93 158.32 32.15 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.284 -0.416 . . . . 25.0 111.444 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 111.499 -0.64 . . . . 50.0 111.499 176.545 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 C--O 1.247 0.966 0 N-CA-C 110.311 -0.255 . . . . 25.0 110.311 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.0 p -84.81 158.32 20.71 Favored 'General case' 0 C--O 1.268 2.028 0 CA-C-O 119.225 -0.417 . . . . 25.0 111.154 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.6 p -152.92 167.03 30.48 Favored 'General case' 0 C--O 1.247 0.943 0 O-C-N 124.6 1.188 . . . . 25.0 110.573 175.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.75 -13.11 2.58 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 173.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 . . . . . 0 C--N 1.316 -0.879 0 N-CA-C 105.906 -1.887 . . . . 25.0 105.906 175.524 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.1 mt . . . . . 0 C--O 1.212 -0.883 0 N-CA-C 108.354 -0.98 . . . . 25.0 108.354 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 126.57 27.85 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 105.947 -1.872 . . . . 25.0 105.947 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.86 -4.6 53.15 Favored Glycine 0 N--CA 1.472 1.058 0 N-CA-C 115.056 0.783 . . . . 25.0 115.056 -174.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 82.5 m -121.96 159.32 27.18 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 102.996 -2.965 . . . . 25.0 102.996 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.41 167.62 24.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 118.685 0.675 . . . . 25.0 109.818 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.8 t -102.75 125.0 49.32 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 117.887 0.312 . . . . 25.0 111.228 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -95.37 -179.82 36.54 Favored Glycine 0 CA--C 1.537 1.453 0 CA-C-O 123.041 1.356 . . . . 25.0 114.258 -176.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -75.34 -6.76 18.21 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 N-CA-C 115.741 1.4 . . . . 25.0 115.741 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -88.12 -4.55 58.74 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.8 21.15 69.28 Favored Glycine 0 N--CA 1.471 0.984 0 O-C-N 121.025 -1.047 . . . . 25.0 110.57 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -127.42 146.12 50.59 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 107.2 -1.407 . . . . 25.0 107.2 176.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.6 t -72.68 148.68 44.5 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 124.15 0.906 . . . . 25.0 108.737 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.867 0 N-CA-C 109.15 -1.58 . . . . 50.0 109.15 -177.09 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.254 1.327 0 CA-C-O 119.727 -0.178 . . . . 25.0 110.833 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.5 p -78.87 151.49 31.77 Favored 'General case' 0 C--O 1.27 2.141 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.7 p -150.69 170.25 19.64 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 123.879 0.737 . . . . 25.0 110.452 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.6 -15.39 1.61 Allowed 'General case' 0 C--O 1.241 0.616 0 N-CA-C 110.176 -0.305 . . . . 25.0 110.176 170.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 . . . . . 0 CA--C 1.558 1.257 0 N-CA-C 102.729 -3.063 . . . . 25.0 102.729 172.724 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--O 1.215 -0.733 0 N-CA-C 107.202 -1.407 . . . . 25.0 107.202 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.65 130.77 46.48 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 105.965 -1.865 . . . . 25.0 105.965 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.53 -14.5 65.15 Favored Glycine 0 C--N 1.35 1.337 0 N-CA-C 115.818 1.087 . . . . 25.0 115.818 -176.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.445 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 33.3 m -87.13 166.19 15.17 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 105.289 -2.115 . . . . 25.0 105.289 176.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.13 174.03 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 120.368 -0.533 . . . . 25.0 110.2 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.4 t -121.31 118.29 29.14 Favored 'General case' 0 N--CA 1.44 -0.971 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.24 177.3 42.6 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 123.031 1.351 . . . . 25.0 113.085 -176.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.09 -13.89 26.02 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 N-CA-C 114.746 1.018 . . . . 25.0 114.746 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -76.67 -3.95 40.63 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 176.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.97 19.25 70.5 Favored Glycine 0 N--CA 1.473 1.147 0 O-C-N 120.842 -1.161 . . . . 25.0 112.305 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -127.09 145.91 50.56 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 37.2 t -70.27 143.44 52.1 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 114.238 -1.346 . . . . 25.0 110.862 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.667 -1.074 . . . . 50.0 111.13 177.709 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.255 1.392 0 CA-C-O 120.205 0.05 . . . . 25.0 111.027 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.5 p -78.88 158.25 28.13 Favored 'General case' 0 C--O 1.272 2.251 0 N-CA-C 112.125 0.417 . . . . 25.0 112.125 -177.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 p -150.28 163.4 38.4 Favored 'General case' 0 C--O 1.253 1.273 0 O-C-N 124.752 1.282 . . . . 25.0 111.152 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.14 -21.45 1.62 Allowed 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 177.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 . . . . . 0 CA--C 1.562 1.428 0 N-CA-C 105.553 -2.017 . . . . 25.0 105.553 171.109 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 C--O 1.211 -0.954 0 N-CA-C 106.325 -1.732 . . . . 25.0 106.325 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.74 129.15 38.96 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 105.049 -2.204 . . . . 25.0 105.049 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.19 -8.22 62.65 Favored Glycine 0 N--CA 1.472 1.085 0 O-C-N 124.307 1.005 . . . . 25.0 114.492 -173.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.1 m -114.33 154.15 28.54 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 103.041 -2.948 . . . . 25.0 103.041 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 m -133.89 164.9 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 CA-C-N 118.738 0.699 . . . . 25.0 111.159 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.9 t -101.69 113.84 27.36 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-N 116.307 -0.406 . . . . 25.0 111.74 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.33 177.38 42.5 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-O 123.186 1.437 . . . . 25.0 116.626 -172.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -63.1 -17.61 60.99 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 N-CA-C 116.923 1.855 . . . . 25.0 116.923 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -82.59 -7.27 59.65 Favored 'General case' 0 C--O 1.251 1.176 0 N-CA-C 108.781 -0.822 . . . . 25.0 108.781 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.92 17.84 64.54 Favored Glycine 0 N--CA 1.471 0.967 0 CA-C-O 122.749 1.194 . . . . 25.0 112.159 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -126.61 147.33 49.91 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 107.774 -1.195 . . . . 25.0 107.774 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 t -74.3 148.69 41.18 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 114.161 -1.381 . . . . 25.0 109.598 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.336 0 N-CA-C 110.732 -0.947 . . . . 50.0 110.732 -179.55 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.263 1.77 0 CA-C-O 121.237 0.541 . . . . 25.0 112.314 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.7 p -93.51 164.0 13.35 Favored 'General case' 0 C--O 1.258 1.52 0 N-CA-C 112.932 0.715 . . . . 25.0 112.932 -177.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.7 p -154.23 159.27 41.25 Favored 'General case' 0 C--O 1.26 1.635 0 N-CA-C 108.883 -0.784 . . . . 25.0 108.883 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.34 -12.4 7.32 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 121.243 0.544 . . . . 25.0 109.58 176.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 . . . . . 0 CA--C 1.558 1.263 0 N-CA-C 105.274 -2.121 . . . . 25.0 105.274 174.242 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 C--O 1.209 -1.058 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.87 124.49 20.33 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 121.291 -0.881 . . . . 25.0 109.036 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.8 -10.27 66.28 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 116.407 1.323 . . . . 25.0 116.407 -175.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -104.98 159.55 15.72 Favored 'General case' 0 CA--C 1.499 -1.007 0 N-CA-C 107.157 -1.423 . . . . 25.0 107.157 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.6 m -129.51 166.68 26.48 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 108.328 -0.99 . . . . 25.0 108.328 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.2 t -94.84 132.39 39.69 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-O 119.042 -0.504 . . . . 25.0 110.475 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.92 174.1 29.89 Favored Glycine 0 C--O 1.253 1.343 0 CA-C-O 122.89 1.272 . . . . 25.0 114.611 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -76.34 -10.33 19.05 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 N-CA-C 115.23 1.204 . . . . 25.0 115.23 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -90.36 0.9 57.06 Favored 'General case' 0 C--O 1.25 1.128 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 176.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.45 11.06 75.87 Favored Glycine 0 C--O 1.249 1.044 0 CA-C-O 122.519 1.066 . . . . 25.0 113.149 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -115.2 149.68 37.31 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.41 -1.33 . . . . 25.0 107.41 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.0 t -74.49 152.13 39.44 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 107.55 -1.278 . . . . 25.0 107.55 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.886 0 N-CA-C 110.269 -1.133 . . . . 50.0 110.269 -176.897 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pt? . . . . . 0 N--CA 1.464 0.234 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.1 p -77.97 153.68 32.25 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.415 -0.957 . . . . 25.0 108.415 174.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 p -156.09 165.5 36.25 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.385 -0.969 . . . . 25.0 108.385 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.24 -17.38 3.03 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.829 -0.623 . . . . 25.0 109.544 174.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 . . . . . 0 C--N 1.325 -0.494 0 N-CA-C 104.845 -2.28 . . . . 25.0 104.845 175.334 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.8 mt . . . . . 0 CA--C 1.52 -0.208 0 N-CA-C 108.054 -1.091 . . . . 25.0 108.054 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.86 133.37 54.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.18 -15.45 30.52 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 110.442 -1.063 . . . . 25.0 110.442 -175.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 m -113.84 164.99 13.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.988 -1.116 . . . . 25.0 107.988 175.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -136.09 167.67 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.0 t -100.5 130.0 46.52 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 175.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -97.46 169.07 24.5 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.876 -0.678 . . . . 25.0 112.956 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -60.16 -16.49 40.4 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 124.173 3.249 . . . . 25.0 115.58 -177.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -84.45 -1.51 55.76 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.574 -0.285 . . . . 25.0 111.717 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.19 19.05 70.38 Favored Glycine 0 N--CA 1.459 0.217 0 N-CA-C 110.457 -1.057 . . . . 25.0 110.457 -176.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -128.6 149.14 50.77 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 t -72.24 162.34 29.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.807 -1.088 . . . . 25.0 111.056 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 CA-C-O 117.784 -1.564 . . . . 50.0 109.806 177.665 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 109.013 -0.736 . . . . 25.0 109.013 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -81.08 152.93 27.61 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.786 -0.188 . . . . 25.0 111.217 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 p -154.96 170.37 21.89 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-O 122.444 1.116 . . . . 25.0 108.947 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -138.05 -28.62 0.86 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.358 -1.292 . . . . 25.0 108.645 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 . . . . . 0 N--CA 1.451 -0.388 0 N-CA-C 106.67 -1.604 . . . . 25.0 106.67 173.171 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.6 mt . . . . . 0 CA--C 1.535 0.389 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 129.97 43.42 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.06 1.45 59.63 Favored Glycine 0 CA--C 1.518 0.22 0 CA-C-N 115.122 -0.945 . . . . 25.0 113.389 -176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 62.8 m -118.08 162.32 18.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 105.367 -2.086 . . . . 25.0 105.367 176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.62 164.58 34.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 C-N-CA 123.179 0.591 . . . . 25.0 111.19 -176.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.8 t -105.09 119.58 39.38 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.529 -0.915 . . . . 25.0 108.529 174.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -89.84 171.37 37.51 Favored Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 115.465 0.946 . . . . 25.0 115.465 -176.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -61.66 -14.87 38.38 Favored 'Trans proline' 0 C--O 1.215 -0.666 0 C-N-CA 122.862 2.375 . . . . 25.0 114.559 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -85.58 -3.96 59.02 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.099 -0.5 . . . . 25.0 111.372 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.47 20.55 71.56 Favored Glycine 0 C--N 1.32 -0.32 0 N-CA-C 110.62 -0.992 . . . . 25.0 110.62 -175.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -128.03 145.9 50.84 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.2 t -76.66 155.08 33.68 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.124 -1.398 . . . . 25.0 109.894 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.681 0 CA-C-O 118.006 -1.441 . . . . 50.0 109.709 176.337 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 pt? . . . . . 0 CA--C 1.519 -0.221 0 N-CA-C 108.72 -0.845 . . . . 25.0 108.72 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.3 p -80.71 156.77 26.11 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.939 -0.393 . . . . 25.0 109.939 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.1 p -155.28 164.32 38.94 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.267 -1.383 . . . . 25.0 107.267 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.85 -15.44 3.03 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 174.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 . . . . . 0 C--N 1.325 -0.47 0 N-CA-C 105.032 -2.21 . . . . 25.0 105.032 174.686 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.6 mt . . . . . 0 C--O 1.223 -0.311 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.45 130.17 45.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 174.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.89 -30.32 8.83 Favored Glycine 0 C--O 1.23 -0.11 0 N-CA-C 110.772 -0.931 . . . . 25.0 110.772 -176.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m -71.78 161.76 30.47 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 173.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.8 151.21 34.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 173.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.9 t -94.64 124.13 38.5 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.125 -1.435 . . . . 25.0 107.125 176.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.88 166.37 31.21 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.728 -0.749 . . . . 25.0 113.424 -175.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -61.41 -15.47 41.02 Favored 'Trans proline' 0 C--O 1.22 -0.391 0 C-N-CA 123.682 2.922 . . . . 25.0 115.333 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -85.55 0.8 51.42 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 111.817 0.302 . . . . 25.0 111.817 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.33 20.05 70.35 Favored Glycine 0 C--O 1.225 -0.415 0 C-N-CA 120.74 -0.743 . . . . 25.0 111.479 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -128.83 145.24 51.25 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 t -87.1 154.99 20.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.464 -0.789 . . . . 25.0 110.952 -175.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.146 0 CA-C-O 119.594 -0.559 . . . . 50.0 113.655 178.328 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.841 0 N-CA-C 110.853 -0.899 . . . . 25.0 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 85.0 m -69.93 161.29 76.12 Favored Pre-proline 0 C--O 1.252 1.214 0 CA-C-N 118.725 1.262 . . . . 25.0 113.126 -178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -72.58 117.9 5.34 Favored 'Trans proline' 0 C--O 1.216 -0.604 0 C-N-CA 114.055 -3.497 . . . . 25.0 114.938 -176.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 23.98 76.59 0.24 Allowed Pre-proline 0 CA--C 1.581 2.151 0 C-N-CA 125.583 1.553 . . . . 25.0 115.099 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -78.1 170.51 18.63 Favored 'Trans proline' 0 CA--C 1.551 1.337 0 C-N-CA 116.356 -1.963 . . . . 25.0 112.009 177.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.5 mmt180 -145.96 154.31 41.77 Favored 'General case' 0 CA--C 1.491 -1.299 0 N-CA-C 105.698 -1.964 . . . . 25.0 105.698 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.42 11.61 60.76 Favored Glycine 0 C--O 1.208 -1.481 0 O-C-N 125.218 1.574 . . . . 25.0 111.231 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -85.68 -5.35 59.27 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 107.187 -1.412 . . . . 25.0 107.187 175.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -125.3 146.05 52.84 Favored Pre-proline 0 C--O 1.248 1.01 0 CA-C-N 115.556 -0.747 . . . . 25.0 110.334 -177.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -72.98 157.1 51.68 Favored 'Trans proline' 0 C--O 1.218 -0.491 0 C-N-CA 120.982 1.122 . . . . 25.0 112.322 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -70.38 153.19 66.28 Favored 'Trans proline' 0 CA--C 1.503 -1.045 0 C-N-CA 113.862 -3.625 . . . . 25.0 111.468 172.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.47 150.54 20.5 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 121.453 -0.779 . . . . 25.0 110.3 175.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.6 p -80.21 160.15 25.71 Favored 'General case' 0 C--O 1.27 2.149 0 N-CA-C 113.237 0.828 . . . . 25.0 113.237 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.2 p -151.72 173.19 15.01 Favored 'General case' 0 C--O 1.251 1.137 0 O-C-N 124.711 1.257 . . . . 25.0 108.238 172.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.63 -21.64 0.9 Allowed 'General case' 0 C--O 1.244 0.799 0 C-N-CA 123.089 0.555 . . . . 25.0 109.939 170.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -133.44 166.77 21.77 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 106.276 -1.75 . . . . 25.0 106.276 174.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.26 -29.98 71.05 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.347 -0.842 . . . . 25.0 112.812 173.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.41 -10.38 59.71 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.099 0.778 . . . . 25.0 113.099 -179.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -73.77 -16.89 61.15 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 118.668 0.667 . . . . 50.0 110.837 -177.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.9 m -107.12 177.81 4.74 Favored 'General case' 0 C--N 1.309 -1.186 0 N-CA-C 114.869 1.433 . . . . 25.0 114.869 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.24 160.43 27.93 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 107.342 -1.355 . . . . 25.0 107.342 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.97 141.46 49.58 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 174.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.56 -20.58 47.64 Favored Glycine 0 C--N 1.346 1.108 0 N-CA-C 114.758 0.663 . . . . 25.0 114.758 -174.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 75.2 m -98.64 160.58 14.18 Favored 'General case' 0 CA--C 1.505 -0.781 0 N-CA-C 106.482 -1.673 . . . . 25.0 106.482 -177.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.1 m -133.66 168.62 23.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.3 t -109.56 122.92 48.52 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 120.906 -0.317 . . . . 25.0 111.214 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.86 179.91 38.56 Favored Glycine 0 CA--C 1.533 1.169 0 N-CA-C 116.681 1.432 . . . . 25.0 116.681 -173.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.62 -14.89 22.0 Favored 'Trans proline' 0 N--CA 1.493 1.49 0 N-CA-C 116.115 1.544 . . . . 25.0 116.115 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -87.82 -0.15 56.57 Favored 'General case' 0 C--O 1.246 0.894 0 CA-C-N 118.453 0.569 . . . . 25.0 109.642 177.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.9 19.25 68.03 Favored Glycine 0 N--CA 1.469 0.842 0 CA-C-O 122.032 0.796 . . . . 25.0 111.693 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -120.27 146.12 46.4 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 107.499 -1.297 . . . . 25.0 107.499 176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.0 t -76.79 148.7 36.46 Favored 'General case' 0 C--O 1.208 -1.093 0 O-C-N 124.724 1.265 . . . . 25.0 109.597 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.849 0 N-CA-C 110.19 -1.164 . . . . 50.0 110.19 -177.49 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.43 0 N-CA-C 110.978 -0.849 . . . . 25.0 110.978 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 92.0 m -81.3 148.94 64.54 Favored Pre-proline 0 C--O 1.261 1.697 0 CA-C-N 118.691 1.245 . . . . 25.0 111.678 -176.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -77.12 157.28 33.96 Favored 'Trans proline' 0 C--O 1.204 -1.208 0 C-N-CA 116.709 -1.727 . . . . 25.0 116.51 -174.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -127.72 74.61 78.3 Favored Pre-proline 0 C--O 1.246 0.909 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 178.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -68.67 -22.72 37.19 Favored 'Trans proline' 0 C--N 1.373 1.822 0 N-CA-C 117.451 2.058 . . . . 25.0 117.451 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 53.1 mmm-85 -124.8 -51.79 1.69 Allowed 'General case' 0 C--O 1.187 -2.226 0 CA-C-O 121.994 0.902 . . . . 25.0 109.104 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.56 -4.04 83.73 Favored Glycine 0 C--O 1.203 -1.799 0 N-CA-C 109.468 -1.453 . . . . 25.0 109.468 -178.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -110.76 5.67 20.93 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 122.584 1.183 . . . . 25.0 110.8 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -87.86 147.2 40.53 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-O 117.545 -1.217 . . . . 25.0 108.944 -176.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -69.01 162.85 40.01 Favored 'Trans proline' 0 C--O 1.216 -0.621 0 C-N-CA 121.423 1.415 . . . . 25.0 112.06 176.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.74 154.45 74.45 Favored 'Trans proline' 0 CA--C 1.49 -1.695 0 C-N-CA 114.981 -2.88 . . . . 25.0 112.281 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.64 155.14 20.54 Favored 'General case' 0 C--O 1.257 1.489 0 CA-C-N 115.931 -0.577 . . . . 25.0 110.908 178.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 p -79.21 156.07 28.33 Favored 'General case' 0 C--O 1.277 2.513 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.7 p -149.65 170.5 18.55 Favored 'General case' 0 C--O 1.25 1.097 0 O-C-N 125.127 1.517 . . . . 25.0 109.738 171.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.95 -20.91 0.79 Allowed 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 109.036 -0.727 . . . . 25.0 109.036 174.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -139.08 162.55 34.66 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 104.748 -2.315 . . . . 25.0 104.748 172.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -61.34 -32.26 72.14 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.881 0.696 . . . . 25.0 112.881 175.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 t -68.18 -10.54 55.04 Favored 'General case' 0 CA--C 1.571 1.777 0 C-N-CA 120.109 -0.636 . . . . 25.0 111.207 -177.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -69.89 -24.8 63.45 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 118.819 0.736 . . . . 50.0 110.439 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 74.2 m -94.97 171.0 9.02 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.057 1.132 . . . . 25.0 114.057 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.81 166.19 15.41 Favored 'General case' 0 C--O 1.201 -1.465 0 CA-C-O 122.01 0.909 . . . . 25.0 108.559 -176.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.42 133.6 56.24 Favored 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 108.142 -1.059 . . . . 25.0 108.142 174.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.52 -4.75 73.41 Favored Glycine 0 C--N 1.353 1.489 0 CA-C-O 119.619 -0.545 . . . . 25.0 113.452 -174.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.7 m -125.42 155.34 40.57 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 105.849 -1.908 . . . . 25.0 105.849 -177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -136.65 167.34 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 N-CA-C 108.203 -1.036 . . . . 25.0 108.203 -175.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.0 t -101.69 127.62 48.36 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.066 -0.716 . . . . 25.0 109.066 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.31 168.51 25.64 Favored Glycine 0 N--CA 1.44 -1.066 0 C-N-CA 120.011 -1.09 . . . . 25.0 112.489 -177.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -59.12 -21.18 58.06 Favored 'Trans proline' 0 N--CA 1.489 1.226 0 N-CA-C 116.386 1.649 . . . . 25.0 116.386 178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -80.99 -4.31 54.65 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-O 118.831 -0.604 . . . . 25.0 110.805 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 84.23 22.2 55.1 Favored Glycine 0 N--CA 1.474 1.169 0 CA-C-N 119.421 1.01 . . . . 25.0 110.745 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -129.83 144.88 51.53 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 108.231 -1.025 . . . . 25.0 108.231 176.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.7 t -71.14 152.71 43.15 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 123.89 0.876 . . . . 25.0 109.728 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.958 0 N-CA-C 107.353 -2.299 . . . . 50.0 107.353 -179.516 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.295 0 N-CA-C 111.07 -0.812 . . . . 25.0 111.07 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m -74.15 158.85 85.08 Favored Pre-proline 0 CA--C 1.543 0.674 0 N-CA-C 113.367 0.876 . . . . 25.0 113.367 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -72.38 167.11 27.84 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 117.546 -1.169 . . . . 25.0 113.208 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.3 mmm180 -70.34 150.66 95.83 Favored Pre-proline 0 CA--C 1.511 -0.529 0 CA-C-N 116.374 -0.375 . . . . 25.0 110.622 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -81.15 -172.05 1.4 Allowed 'Trans proline' 0 C--O 1.211 -0.844 0 O-C-N 122.805 0.898 . . . . 25.0 110.3 179.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.8 ttm-85 -56.43 -37.07 69.72 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 114.316 1.228 . . . . 25.0 114.316 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.12 -135.15 2.83 Favored Glycine 0 CA--C 1.506 -0.492 0 N-CA-C 109.149 -1.58 . . . . 25.0 109.149 -176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -90.32 17.84 6.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.269 0.557 . . . . 25.0 109.681 174.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -56.49 152.16 26.11 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.652 -0.703 . . . . 25.0 112.625 -176.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -68.5 167.08 23.55 Favored 'Trans proline' 0 C--O 1.244 0.784 0 C-N-CA 122.603 2.202 . . . . 25.0 112.812 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -66.35 159.31 50.81 Favored 'Trans proline' 0 C--O 1.243 0.749 0 C-N-CA 118.348 -0.635 . . . . 25.0 111.599 177.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.1 156.97 38.97 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.77 -0.65 . . . . 25.0 110.531 177.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -85.71 151.66 23.68 Favored 'General case' 0 N--CA 1.44 -0.945 0 C-N-CA 122.787 0.435 . . . . 25.0 110.206 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.1 p -148.57 162.03 40.48 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 175.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.61 -5.41 3.68 Favored 'General case' 0 C--N 1.314 -0.974 0 C-N-CA 123.559 0.744 . . . . 25.0 110.182 177.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -153.55 163.82 39.3 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 103.725 -2.694 . . . . 25.0 103.725 176.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -69.58 -28.99 66.44 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 -176.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.06 -12.4 50.22 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 115.781 1.771 . . . . 25.0 115.781 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -78.08 -10.51 59.65 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 122.282 -0.262 . . . . 50.0 110.554 177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.523 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 78.4 m -102.79 165.85 10.81 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 122.324 1.059 . . . . 25.0 110.925 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.6 mt -75.66 154.38 36.59 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 106.688 -1.597 . . . . 25.0 106.688 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.73 128.87 38.71 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 107.978 -1.119 . . . . 25.0 107.978 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.05 -2.74 55.27 Favored Glycine 0 C--N 1.333 0.394 0 N-CA-C 111.178 -0.769 . . . . 25.0 111.178 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 20' ' ' CYS . 25.9 m -121.01 155.27 34.69 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 106.945 -1.502 . . . . 25.0 106.945 175.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.2 m -126.66 167.4 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.933 0.397 . . . . 25.0 110.605 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.4 t -102.06 118.71 37.47 Favored 'General case' 0 CA--C 1.509 -0.6 0 N-CA-C 108.128 -1.064 . . . . 25.0 108.128 177.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.67 177.39 51.28 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 115.046 0.779 . . . . 25.0 115.046 -174.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -72.29 -10.0 25.08 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 N-CA-C 115.347 1.249 . . . . 25.0 115.347 -176.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -93.45 0.66 56.86 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.036 -0.529 . . . . 25.0 110.869 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.9 20.52 75.96 Favored Glycine 0 C--O 1.241 0.535 0 C-N-CA 120.838 -0.696 . . . . 25.0 112.288 -177.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -116.22 145.9 42.76 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.5 t -72.32 148.44 45.35 Favored 'General case' 0 C--O 1.244 0.801 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.873 0 CA-C-O 117.809 -1.55 . . . . 50.0 110.72 178.85 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.41 -3.035 0 N-CA-C 111.646 -0.582 . . . . 25.0 111.646 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.2 m -79.61 159.61 71.47 Favored Pre-proline 0 C--O 1.257 1.453 0 C-N-CA 124.014 0.926 . . . . 25.0 110.692 -177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -72.11 153.9 57.26 Favored 'Trans proline' 0 C--O 1.204 -1.19 0 C-N-CA 113.889 -3.608 . . . . 25.0 115.718 -170.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -135.45 76.58 55.36 Favored Pre-proline 0 C--N 1.32 -0.681 0 C-N-CA 123.468 0.707 . . . . 25.0 110.242 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -54.47 -27.31 48.99 Favored 'Trans proline' 0 C--O 1.202 -1.283 0 N-CA-C 118.698 2.538 . . . . 25.0 118.698 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -124.8 -45.58 1.89 Allowed 'General case' 0 C--O 1.19 -2.057 0 CA-C-O 122.585 1.183 . . . . 25.0 110.845 175.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.07 8.62 81.83 Favored Glycine 0 C--O 1.192 -2.51 0 CA-C-N 115.674 -0.694 . . . . 25.0 111.493 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -107.34 -13.04 15.21 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 121.698 0.761 . . . . 25.0 110.978 -178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -95.44 153.83 39.47 Favored Pre-proline 0 C--N 1.321 -0.645 0 O-C-N 121.106 -0.996 . . . . 25.0 109.385 -171.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -63.57 160.93 33.77 Favored 'Trans proline' 0 C--N 1.352 0.732 0 O-C-N 123.022 1.012 . . . . 25.0 112.544 175.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -64.94 156.29 63.23 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 117.06 -1.493 . . . . 25.0 113.81 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.453 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.9 pt? -70.28 159.33 34.26 Favored 'General case' 0 C--O 1.254 1.331 0 CA-C-N 115.618 -0.719 . . . . 25.0 111.624 175.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.4 p -81.54 156.13 25.39 Favored 'General case' 0 C--O 1.27 2.133 0 N-CA-C 114.023 1.12 . . . . 25.0 114.023 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 21.0 p -141.49 171.19 14.4 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 125.094 1.497 . . . . 25.0 110.834 173.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.34 -23.96 0.73 Allowed 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 108.296 -1.001 . . . . 25.0 108.296 171.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -135.84 165.53 25.42 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 105.023 -2.214 . . . . 25.0 105.023 171.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -69.96 -24.94 63.42 Favored 'General case' 0 N--CA 1.438 -1.063 0 CA-C-O 119.116 -0.468 . . . . 25.0 111.692 177.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.95 -13.78 58.27 Favored 'General case' 0 CA--C 1.552 1.051 0 O-C-N 123.691 0.619 . . . . 25.0 112.582 176.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -72.31 -28.62 63.19 Favored 'General case' 0 C--O 1.248 1.015 0 C-N-CA 119.944 -0.702 . . . . 50.0 110.882 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.9 m -93.58 172.32 8.34 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 109.012 -0.736 . . . . 25.0 109.012 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.5 mt -78.54 162.15 26.51 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.05 128.28 36.03 Favored 'General case' 0 CA--C 1.55 0.954 0 N-CA-C 107.521 -1.289 . . . . 25.0 107.521 175.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.03 -10.26 58.41 Favored Glycine 0 C--N 1.351 1.412 0 O-C-N 124.134 0.896 . . . . 25.0 114.136 -172.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.7 m -111.23 160.62 16.81 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 104.617 -2.364 . . . . 25.0 104.617 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.4 m -129.54 174.29 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.389 0 N-CA-C 109.574 -0.528 . . . . 25.0 109.574 -176.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.5 t -121.65 122.68 40.14 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 118.635 -0.698 . . . . 25.0 109.246 178.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -108.73 179.0 21.19 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-O 122.95 1.306 . . . . 25.0 115.796 -174.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -62.37 -15.07 42.69 Favored 'Trans proline' 0 C--O 1.201 -1.354 0 N-CA-C 116.669 1.757 . . . . 25.0 116.669 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -80.85 -4.62 55.41 Favored 'General case' 0 C--O 1.254 1.327 0 CA-C-N 119.22 0.918 . . . . 25.0 108.853 177.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.02 18.69 76.34 Favored Glycine 0 C--O 1.25 1.116 0 CA-C-O 122.301 0.945 . . . . 25.0 111.56 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -123.69 143.15 50.45 Favored 'General case' 0 CA--C 1.496 -1.116 0 N-CA-C 109.006 -0.738 . . . . 25.0 109.006 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 21.7 m -67.21 143.96 56.24 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 105.785 -1.931 . . . . 25.0 105.785 175.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.218 0 CA-C-O 118.378 -1.235 . . . . 50.0 110.164 -176.45 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.314 0 N-CA-C 111.789 -0.524 . . . . 25.0 111.789 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 51.0 m -77.72 132.34 68.61 Favored Pre-proline 0 C--N 1.304 -1.385 0 CA-C-O 122.255 1.026 . . . . 25.0 111.389 -171.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -81.22 155.36 19.31 Favored 'Trans proline' 0 C--O 1.213 -0.761 0 C-N-CA 116.477 -1.882 . . . . 25.0 114.803 -175.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.3 mtm180 -127.77 76.93 76.88 Favored Pre-proline 0 C--N 1.313 -0.999 0 O-C-N 121.758 -0.589 . . . . 25.0 109.767 177.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -52.97 -41.4 71.64 Favored 'Trans proline' 0 C--O 1.192 -1.801 0 C-N-CA 122.677 2.251 . . . . 25.0 116.901 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -78.64 -40.94 32.81 Favored 'General case' 0 C--O 1.198 -1.642 0 CA-C-O 123.184 1.469 . . . . 25.0 107.201 177.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.62 -36.27 4.03 Favored Glycine 0 C--O 1.208 -1.469 0 CA-C-N 114.098 -1.41 . . . . 25.0 110.823 -177.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -97.71 7.81 45.78 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.106 0.963 . . . . 25.0 110.344 176.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -72.11 137.17 81.8 Favored Pre-proline 0 C--N 1.321 -0.664 0 O-C-N 120.27 -1.519 . . . . 25.0 112.948 -172.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -68.67 166.27 26.59 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.555 2.17 . . . . 25.0 113.394 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.56 158.44 53.74 Favored 'Trans proline' 0 C--O 1.218 -0.512 0 C-N-CA 115.241 -2.706 . . . . 25.0 114.854 173.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.497 ' H ' HD23 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -83.24 162.33 21.23 Favored 'General case' 0 C--O 1.26 1.618 0 N-CA-C 108.856 -0.794 . . . . 25.0 108.856 173.446 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 p -76.77 154.46 33.99 Favored 'General case' 0 C--O 1.272 2.288 0 O-C-N 121.92 -0.488 . . . . 25.0 110.416 175.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.3 p -150.63 161.61 42.25 Favored 'General case' 0 C--O 1.255 1.377 0 O-C-N 124.561 1.163 . . . . 25.0 109.077 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.32 -20.39 3.01 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 173.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -137.48 166.79 23.02 Favored 'General case' 0 CA--C 1.555 1.139 0 N-CA-C 103.485 -2.783 . . . . 25.0 103.485 171.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -69.25 -25.54 64.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.981 -0.449 . . . . 25.0 111.583 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.82 -19.26 59.36 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 112.914 0.709 . . . . 25.0 112.914 175.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -75.81 -19.33 59.03 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 118.317 0.508 . . . . 50.0 110.849 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 84.7 m -90.88 176.11 6.74 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.739 1.257 . . . . 25.0 111.825 -178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.7 mt -83.92 162.67 20.4 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 114.585 -1.189 . . . . 25.0 108.065 178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 137.57 57.89 Favored 'General case' 0 CA--C 1.559 1.295 0 O-C-N 121.604 -0.685 . . . . 25.0 109.71 177.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.1 -5.8 84.35 Favored Glycine 0 C--N 1.347 1.191 0 CA-C-N 115.071 -0.968 . . . . 25.0 114.729 -176.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 20' ' ' CYS . 25.4 m -113.41 161.63 17.08 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 106.181 -1.785 . . . . 25.0 106.181 -179.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -132.67 170.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.285 0 N-CA-C 109.042 -0.725 . . . . 25.0 109.042 -177.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.9 t -109.37 150.37 28.14 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.41 -0.959 . . . . 25.0 108.41 177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -129.04 170.66 20.09 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 120.416 -0.897 . . . . 25.0 113.282 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -59.32 -17.08 38.0 Favored 'Trans proline' 0 N--CA 1.496 1.668 0 N-CA-C 117.14 1.938 . . . . 25.0 117.14 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -70.36 -17.68 63.05 Favored 'General case' 0 C--O 1.261 1.674 0 CA-C-N 118.148 0.431 . . . . 25.0 110.066 175.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.33 17.51 60.53 Favored Glycine 0 N--CA 1.472 1.038 0 CA-C-O 122.868 1.26 . . . . 25.0 111.7 -178.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -133.62 147.68 51.49 Favored 'General case' 0 N--CA 1.485 1.32 0 N-CA-C 107.116 -1.438 . . . . 25.0 107.116 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.1 t -70.3 151.45 45.27 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 124.95 1.406 . . . . 25.0 111.62 -175.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.771 0 N-CA-C 109.24 -1.544 . . . . 50.0 109.24 -179.796 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.539 0 CA-C-O 119.012 -0.882 . . . . 25.0 111.867 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.3 m -73.92 155.37 88.67 Favored Pre-proline 0 C--N 1.313 -0.98 0 CA-C-N 118.747 1.273 . . . . 25.0 112.206 -177.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.07 139.21 42.0 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 114.269 -3.354 . . . . 25.0 111.955 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -72.41 150.15 91.53 Favored Pre-proline 0 C--O 1.258 1.501 0 C-N-CA 119.426 -0.91 . . . . 25.0 110.392 -171.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -84.16 169.59 11.33 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 CA-C-N 118.825 0.616 . . . . 25.0 112.153 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -84.01 -17.85 39.07 Favored 'General case' 0 C--O 1.192 -1.959 0 CA-C-O 123.994 1.854 . . . . 25.0 108.032 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.94 21.28 16.24 Favored Glycine 0 C--O 1.203 -1.798 0 CA-C-N 113.387 -1.733 . . . . 25.0 111.671 175.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -107.74 -10.23 15.65 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-O 121.911 0.862 . . . . 25.0 110.603 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -141.51 147.41 46.06 Favored Pre-proline 0 C--N 1.318 -0.766 0 O-C-N 120.798 -1.189 . . . . 25.0 108.029 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -67.26 161.64 42.11 Favored 'Trans proline' 0 C--O 1.216 -0.579 0 C-N-CA 121.741 1.627 . . . . 25.0 113.249 177.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -66.86 163.37 33.76 Favored 'Trans proline' 0 CA--C 1.511 -0.627 0 C-N-CA 117.035 -1.51 . . . . 25.0 111.856 174.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.35 154.42 40.11 Favored 'General case' 0 C--O 1.266 1.97 0 O-C-N 120.739 -1.225 . . . . 25.0 111.898 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -89.86 152.26 21.35 Favored 'General case' 0 C--O 1.272 2.238 0 CA-C-N 115.83 -0.623 . . . . 25.0 111.278 178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.3 p -149.05 165.48 31.57 Favored 'General case' 0 C--O 1.258 1.539 0 O-C-N 124.255 0.972 . . . . 25.0 109.889 -179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.49 -5.57 3.73 Favored 'General case' 0 C--O 1.256 1.399 0 CA-C-O 120.759 0.314 . . . . 25.0 111.077 174.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -152.04 162.44 41.09 Favored 'General case' 0 CA--C 1.561 1.368 0 N-CA-C 105.635 -1.987 . . . . 25.0 105.635 174.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -59.39 -35.35 73.78 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 116.333 -0.394 . . . . 25.0 111.336 175.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -17.07 63.64 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -177.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -72.85 -18.37 61.45 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-N 118.501 0.592 . . . . 50.0 110.911 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.2 m -96.28 179.52 5.01 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 122.417 1.103 . . . . 25.0 113.799 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.5 mt -78.04 162.71 26.52 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-N 114.114 -1.403 . . . . 25.0 108.537 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.45 140.28 56.34 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 173.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.54 -3.5 85.16 Favored Glycine 0 C--N 1.355 1.616 0 CA-C-O 118.867 -0.963 . . . . 25.0 114.658 -175.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.4 m -118.17 158.44 25.09 Favored 'General case' 0 C--O 1.256 1.428 0 N-CA-C 106.958 -1.497 . . . . 25.0 106.958 -177.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -133.44 172.24 16.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 N-CA-C 106.366 -1.716 . . . . 25.0 106.366 176.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.9 t -110.73 133.06 53.67 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.854 -0.795 . . . . 25.0 108.854 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.9 175.65 24.27 Favored Glycine 0 N--CA 1.432 -1.579 0 N-CA-C 115.712 1.045 . . . . 25.0 115.712 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.89 -16.63 50.66 Favored 'Trans proline' 0 C--O 1.199 -1.468 0 N-CA-C 117.358 2.022 . . . . 25.0 117.358 177.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -85.71 -2.09 57.85 Favored 'General case' 0 CA--C 1.555 1.157 0 CA-C-O 118.842 -0.599 . . . . 25.0 110.173 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.33 19.41 71.82 Favored Glycine 0 N--CA 1.472 1.077 0 CA-C-N 119.284 0.947 . . . . 25.0 111.883 178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -123.77 149.37 45.71 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 106.45 -1.685 . . . . 25.0 106.45 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.8 t -70.95 148.37 47.76 Favored 'General case' 0 CA--C 1.519 -0.25 0 O-C-N 124.584 1.177 . . . . 25.0 109.211 178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.172 0 CA-C-O 118.086 -1.397 . . . . 50.0 110.276 178.633 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -2.371 0 N-CA-C 110.661 -0.975 . . . . 25.0 110.661 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 60.2 m -66.14 156.61 84.09 Favored Pre-proline 0 N--CA 1.482 1.13 0 C-N-CA 124.392 1.077 . . . . 25.0 113.067 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -73.37 151.5 48.29 Favored 'Trans proline' 0 C--O 1.2 -1.407 0 C-N-CA 114.298 -3.335 . . . . 25.0 114.444 -176.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -134.5 74.17 66.58 Favored Pre-proline 0 C--O 1.263 1.788 0 N-CA-C 112.735 0.643 . . . . 25.0 112.735 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -71.73 -19.4 27.68 Favored 'Trans proline' 0 C--O 1.198 -1.478 0 C-N-CA 124.246 3.298 . . . . 25.0 116.481 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.4 tpp85 -118.74 -42.75 2.71 Favored 'General case' 0 C--O 1.203 -1.374 0 CA-C-O 123.044 1.402 . . . . 25.0 110.858 174.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.82 -23.09 20.38 Favored Glycine 0 C--O 1.209 -1.457 0 CA-C-N 114.821 -1.081 . . . . 25.0 111.016 177.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -114.21 12.93 17.85 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 122.559 1.171 . . . . 25.0 110.142 174.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -74.84 139.27 73.45 Favored Pre-proline 0 C--N 1.312 -1.059 0 CA-C-N 115.319 -0.855 . . . . 25.0 109.904 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -68.73 165.22 30.34 Favored 'Trans proline' 0 C--O 1.212 -0.812 0 C-N-CA 121.549 1.5 . . . . 25.0 115.12 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -69.24 155.21 68.34 Favored 'Trans proline' 0 CA--C 1.506 -0.89 0 C-N-CA 116.196 -2.069 . . . . 25.0 114.946 175.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.558 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.3 pt? -84.31 161.53 20.41 Favored 'General case' 0 C--O 1.254 1.317 0 CA-C-N 114.937 -1.029 . . . . 25.0 109.431 174.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.95 157.84 29.56 Favored 'General case' 0 C--O 1.272 2.245 0 O-C-N 122.257 -0.277 . . . . 25.0 111.674 174.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.428 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 30.8 p -142.51 164.92 28.81 Favored 'General case' 0 C--O 1.251 1.174 0 O-C-N 124.37 1.044 . . . . 25.0 112.079 173.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -140.71 -9.26 1.06 Allowed 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 107.96 -1.126 . . . . 25.0 107.96 175.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -143.37 163.74 32.22 Favored 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 106.177 -1.786 . . . . 25.0 106.177 169.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.32 -35.87 80.39 Favored 'General case' 0 N--CA 1.434 -1.229 0 O-C-N 123.846 0.716 . . . . 25.0 112.275 172.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.1 t -69.27 -7.8 40.24 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 119.899 -0.72 . . . . 25.0 112.084 -177.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -68.92 -25.65 64.69 Favored 'General case' 0 CA--C 1.492 -1.256 0 O-C-N 121.334 -0.854 . . . . 50.0 111.786 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.2 m -94.87 167.26 11.53 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-O 122.407 1.099 . . . . 25.0 112.272 -176.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.9 mt -80.48 162.59 24.31 Favored 'General case' 0 N--CA 1.443 -0.783 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.97 134.34 31.96 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 108.171 -1.048 . . . . 25.0 108.171 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.7 -14.66 60.34 Favored Glycine 0 C--N 1.341 0.813 0 N-CA-C 115.659 1.024 . . . . 25.0 115.659 -174.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.4 m -119.37 149.82 41.19 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 106.278 -1.749 . . . . 25.0 106.278 -178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.9 m -125.69 168.48 18.46 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 108.049 -1.093 . . . . 25.0 108.049 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.7 t -93.18 119.55 32.5 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.968 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.07 179.03 40.82 Favored Glycine 0 C--O 1.247 0.955 0 CA-C-O 122.875 1.264 . . . . 25.0 115.703 -174.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -75.26 -12.48 21.02 Favored 'Trans proline' 0 N--CA 1.502 1.993 0 N-CA-C 114.994 1.113 . . . . 25.0 114.994 -179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -82.98 -5.58 59.14 Favored 'General case' 0 C--O 1.255 1.348 0 N-CA-C 109.193 -0.669 . . . . 25.0 109.193 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.28 19.25 59.16 Favored Glycine 0 N--CA 1.468 0.828 0 CA-C-O 122.021 0.789 . . . . 25.0 111.428 -177.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -127.59 144.74 51.04 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 123.299 0.639 . . . . 25.0 109.999 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 16.0 m -69.71 143.16 53.17 Favored 'General case' 0 C--O 1.223 -0.303 0 N-CA-C 107.138 -1.43 . . . . 25.0 107.138 177.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.869 0 N-CA-C 110.327 -1.109 . . . . 50.0 110.327 -175.192 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.427 -1.964 0 N-CA-C 110.353 -1.099 . . . . 25.0 110.353 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 87.0 m -62.65 146.53 94.17 Favored Pre-proline 0 C--N 1.322 -0.595 0 N-CA-C 114.295 1.22 . . . . 25.0 114.295 -175.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -68.72 140.67 47.42 Favored 'Trans proline' 0 C--O 1.209 -0.968 0 C-N-CA 115.692 -2.405 . . . . 25.0 113.259 -178.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.0 mmt85 24.19 77.38 0.24 Allowed Pre-proline 0 CA--C 1.566 1.586 0 N-CA-C 114.477 1.288 . . . . 25.0 114.477 -176.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -76.07 149.37 32.4 Favored 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 115.339 -2.641 . . . . 25.0 111.238 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.0 tpt180 -77.08 -41.55 41.8 Favored 'General case' 0 C--O 1.19 -2.043 0 CA-C-O 122.977 1.37 . . . . 25.0 109.037 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.18 -6.66 72.35 Favored Glycine 0 C--O 1.192 -2.499 0 CA-C-N 114.326 -1.306 . . . . 25.0 110.709 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -100.4 -22.38 15.07 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 123.001 1.381 . . . . 25.0 109.208 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -71.93 133.91 83.77 Favored Pre-proline 0 C--N 1.309 -1.159 0 CA-C-N 115.032 -0.985 . . . . 25.0 113.479 -173.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -70.41 162.95 40.56 Favored 'Trans proline' 0 C--O 1.221 -0.352 0 O-C-N 122.986 0.993 . . . . 25.0 111.858 176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -72.66 154.62 54.58 Favored 'Trans proline' 0 CA--C 1.495 -1.461 0 C-N-CA 114.67 -3.087 . . . . 25.0 113.573 176.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pp -110.56 154.46 23.69 Favored 'General case' 0 C--O 1.245 0.841 0 CA-C-N 116.409 -0.36 . . . . 25.0 110.356 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.31 147.41 29.9 Favored 'General case' 0 C--O 1.271 2.233 0 N-CA-C 113.0 0.741 . . . . 25.0 113.0 -177.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.2 p -144.3 171.68 13.98 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 124.349 1.031 . . . . 25.0 109.539 177.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.27 -16.61 1.21 Allowed 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 109.339 -0.615 . . . . 25.0 109.339 172.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -137.82 166.5 23.85 Favored 'General case' 0 CA--C 1.56 1.338 0 N-CA-C 104.036 -2.579 . . . . 25.0 104.036 171.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -71.83 -26.83 62.55 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 112.367 0.506 . . . . 25.0 112.367 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -12.35 51.25 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 112.366 0.506 . . . . 25.0 112.366 177.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -72.69 -14.75 61.64 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 118.104 0.411 . . . . 50.0 110.918 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -115.63 -169.03 1.5 Allowed 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.635 0.731 . . . . 25.0 111.861 -175.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.9 mt -81.61 160.13 23.86 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 108.074 -1.084 . . . . 25.0 108.074 -174.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.31 134.83 55.45 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 106.597 -1.631 . . . . 25.0 106.597 177.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.78 -11.88 69.27 Favored Glycine 0 C--N 1.352 1.46 0 CA-C-N 116.07 -0.514 . . . . 25.0 114.314 -175.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.42 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 81.8 m -93.24 168.22 11.23 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 106.842 -1.54 . . . . 25.0 106.842 177.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 m -131.8 171.15 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 174.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.2 t -114.9 120.73 40.95 Favored 'General case' 0 CA--C 1.558 1.278 0 N-CA-C 106.0 -1.852 . . . . 25.0 106.0 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.87 177.73 33.04 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-O 123.476 1.598 . . . . 25.0 115.889 -172.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -64.05 -14.26 42.41 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 N-CA-C 115.916 1.468 . . . . 25.0 115.916 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -83.04 -6.62 59.56 Favored 'General case' 0 C--O 1.259 1.562 0 O-C-N 123.556 0.535 . . . . 25.0 110.128 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.12 22.11 66.31 Favored Glycine 0 N--CA 1.472 1.05 0 N-CA-C 110.546 -1.021 . . . . 25.0 110.546 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -127.39 145.71 50.72 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 106.788 -1.56 . . . . 25.0 106.788 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 49.2 t -68.99 141.19 54.98 Favored 'General case' 0 C--O 1.209 -1.04 0 C-N-CA 124.851 1.26 . . . . 25.0 108.8 179.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.74 0 CA-C-O 117.942 -1.477 . . . . 50.0 109.45 174.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.835 0 CA-C-O 118.471 -1.183 . . . . 25.0 110.678 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 59.1 m -70.0 151.17 96.2 Favored Pre-proline 0 CA--C 1.492 -1.254 0 CA-C-N 119.124 1.462 . . . . 25.0 111.716 -177.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -75.05 145.79 31.71 Favored 'Trans proline' 0 C--O 1.202 -1.277 0 C-N-CA 114.963 -2.891 . . . . 25.0 114.691 -175.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -143.05 63.76 13.52 Favored Pre-proline 0 C--O 1.243 0.744 0 O-C-N 121.583 -0.698 . . . . 25.0 109.453 176.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -71.86 -11.26 27.42 Favored 'Trans proline' 0 C--O 1.194 -1.676 0 C-N-CA 123.05 2.5 . . . . 25.0 117.303 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -122.27 -33.01 3.56 Favored 'General case' 0 C--O 1.192 -1.97 0 CA-C-O 121.885 0.85 . . . . 25.0 111.665 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.02 -17.17 59.31 Favored Glycine 0 C--O 1.195 -2.299 0 N-CA-C 110.406 -1.077 . . . . 25.0 110.406 177.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -113.87 4.41 15.84 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-O 122.182 0.991 . . . . 25.0 111.739 173.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -71.34 133.35 85.34 Favored Pre-proline 0 CA--C 1.549 0.905 0 N-CA-C 108.745 -0.835 . . . . 25.0 108.745 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -68.54 155.02 70.42 Favored 'Trans proline' 0 CA--C 1.529 0.248 0 C-N-CA 120.658 0.906 . . . . 25.0 114.138 -173.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.31 158.98 54.57 Favored 'Trans proline' 0 CA--C 1.509 -0.754 0 O-C-N 123.739 1.389 . . . . 25.0 114.435 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.52 159.12 27.04 Favored 'General case' 0 C--O 1.27 2.159 0 CA-C-N 115.973 -0.558 . . . . 25.0 110.949 173.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.7 p -80.94 149.72 29.28 Favored 'General case' 0 C--O 1.278 2.604 0 O-C-N 121.843 -0.536 . . . . 25.0 111.171 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.5 p -148.57 173.05 13.56 Favored 'General case' 0 C--O 1.255 1.394 0 O-C-N 123.92 0.762 . . . . 25.0 109.487 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.58 -21.22 0.74 Allowed 'General case' 0 C--O 1.242 0.661 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 170.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -134.93 164.07 28.43 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 106.142 -1.799 . . . . 25.0 106.142 172.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -58.75 -34.15 71.07 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.718 -0.614 . . . . 25.0 112.537 174.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.49 -15.9 42.18 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 113.421 0.897 . . . . 25.0 113.421 -179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -75.81 -20.27 58.32 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 118.152 0.433 . . . . 50.0 110.866 178.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.4 m -94.39 177.9 5.79 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 122.906 1.336 . . . . 25.0 113.434 -176.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.13 162.12 24.92 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 106.177 -1.786 . . . . 25.0 106.177 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.36 143.38 53.19 Favored 'General case' 0 CA--C 1.562 1.408 0 N-CA-C 106.694 -1.595 . . . . 25.0 106.694 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.57 -1.75 87.24 Favored Glycine 0 N--CA 1.472 1.095 0 N-CA-C 115.731 1.052 . . . . 25.0 115.731 -175.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.0 m -121.21 161.57 21.67 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.9 m -132.36 167.13 27.23 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 N-CA-C 109.548 -0.538 . . . . 25.0 109.548 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.1 t -99.79 129.02 45.86 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-O 118.67 -0.681 . . . . 25.0 111.156 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -94.58 176.86 35.55 Favored Glycine 0 CA--C 1.537 1.426 0 CA-C-O 123.1 1.389 . . . . 25.0 114.938 -174.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.81 -12.65 26.53 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 N-CA-C 115.139 1.169 . . . . 25.0 115.139 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -89.85 1.44 56.18 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 121.847 -0.533 . . . . 25.0 110.451 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.26 21.64 64.55 Favored Glycine 0 N--CA 1.472 1.048 0 C-N-CA 119.864 -1.16 . . . . 25.0 111.416 179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -129.52 147.58 51.34 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 106.637 -1.616 . . . . 25.0 106.637 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.1 t -68.57 155.35 40.15 Favored 'General case' 0 CA--C 1.518 -0.279 0 O-C-N 124.945 1.403 . . . . 25.0 110.447 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.433 0 N-CA-C 108.826 -1.71 . . . . 50.0 108.826 -177.944 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.311 0 CA-C-O 119.3 -0.722 . . . . 25.0 112.021 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 57.1 m 61.26 150.55 0.1 OUTLIER Pre-proline 0 N--CA 1.478 0.95 0 N-CA-C 117.658 2.466 . . . . 25.0 117.658 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -78.12 111.9 3.15 Favored 'Trans proline' 0 N--CA 1.477 0.553 0 C-N-CA 115.796 -2.336 . . . . 25.0 113.358 -176.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 31.09 72.78 0.52 Allowed Pre-proline 0 CA--C 1.578 2.029 0 CA-C-N 113.853 -1.521 . . . . 25.0 111.642 -176.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -74.08 144.1 33.35 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 116.063 -2.158 . . . . 25.0 113.18 -177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -73.8 -34.41 64.62 Favored 'General case' 0 C--O 1.197 -1.687 0 CA-C-O 123.321 1.534 . . . . 25.0 111.138 -173.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.26 17.63 60.46 Favored Glycine 0 C--O 1.198 -2.108 0 CA-C-N 114.752 -1.113 . . . . 25.0 110.973 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -123.54 -26.02 4.27 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 122.615 1.198 . . . . 25.0 111.595 177.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -75.17 142.28 75.34 Favored Pre-proline 0 C--N 1.317 -0.838 0 O-C-N 120.787 -1.196 . . . . 25.0 112.31 -175.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -68.4 163.26 37.22 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.548 2.165 . . . . 25.0 112.178 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -71.16 166.5 29.01 Favored 'Trans proline' 0 CA--C 1.491 -1.656 0 C-N-CA 114.158 -3.428 . . . . 25.0 114.241 176.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -127.04 155.43 43.25 Favored 'General case' 0 C--O 1.261 1.71 0 N-CA-C 108.152 -1.055 . . . . 25.0 108.152 176.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 p -82.55 155.95 24.24 Favored 'General case' 0 C--O 1.274 2.394 0 N-CA-C 112.522 0.564 . . . . 25.0 112.522 -176.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -150.97 169.66 21.22 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.506 1.129 . . . . 25.0 108.442 175.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 t -141.33 -18.49 0.79 Allowed 'General case' 0 C--N 1.347 0.471 0 N-CA-C 108.635 -0.876 . . . . 25.0 108.635 171.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -134.86 169.02 18.01 Favored 'General case' 0 CA--C 1.564 1.486 0 N-CA-C 103.086 -2.931 . . . . 25.0 103.086 169.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -72.43 -24.01 61.16 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.813 0.672 . . . . 25.0 112.813 177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.0 t -66.36 -13.4 60.55 Favored 'General case' 0 CA--C 1.565 1.539 0 CA-C-O 118.684 -0.674 . . . . 25.0 111.221 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -72.36 -11.22 60.6 Favored 'General case' 0 C--O 1.247 0.936 0 CA-C-N 118.503 0.592 . . . . 50.0 110.773 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.4 t -118.68 -174.77 2.75 Favored 'General case' 0 CA--C 1.55 0.966 0 N-CA-C 114.895 1.443 . . . . 25.0 114.895 -175.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.0 mt -77.78 153.54 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 122.443 1.116 . . . . 25.0 109.49 -173.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.67 121.6 12.65 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.69 -10.92 35.32 Favored Glycine 0 C--N 1.347 1.168 0 N-CA-C 115.509 0.964 . . . . 25.0 115.509 -173.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.502 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 78.8 m -101.24 164.41 11.8 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 107.863 -1.162 . . . . 25.0 107.863 -178.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -127.21 170.21 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 N-CA-C 108.772 -0.825 . . . . 25.0 108.772 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.4 t -111.55 124.6 52.62 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.202 -0.666 . . . . 25.0 109.202 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -92.74 177.14 38.55 Favored Glycine 0 C--O 1.248 0.997 0 CA-C-O 123.201 1.445 . . . . 25.0 116.131 -174.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -73.38 -9.41 23.01 Favored 'Trans proline' 0 N--CA 1.491 1.377 0 N-CA-C 114.83 1.05 . . . . 25.0 114.83 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -88.87 -1.98 58.36 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 108.264 -1.013 . . . . 25.0 108.264 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.89 17.97 68.83 Favored Glycine 0 N--CA 1.472 1.067 0 CA-C-N 119.215 0.916 . . . . 25.0 111.795 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -123.27 145.77 48.41 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 107.507 -1.294 . . . . 25.0 107.507 177.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.502 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 43.7 t -65.83 148.14 52.25 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 125.212 1.57 . . . . 25.0 108.705 177.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.832 0 CA-C-O 117.961 -1.466 . . . . 50.0 110.313 -177.912 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.413 -2.861 0 N-CA-C 111.29 -0.724 . . . . 25.0 111.29 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 69.5 m -75.61 157.98 83.62 Favored Pre-proline 0 C--O 1.246 0.897 0 N-CA-C 114.933 1.457 . . . . 25.0 114.933 -174.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -73.99 167.62 26.77 Favored 'Trans proline' 0 C--O 1.207 -1.069 0 C-N-CA 116.733 -1.711 . . . . 25.0 114.061 179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.4 mtt85 -129.67 69.7 81.6 Favored Pre-proline 0 C--N 1.308 -1.204 0 O-C-N 121.199 -0.938 . . . . 25.0 112.107 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -71.28 -13.24 30.72 Favored 'Trans proline' 0 C--O 1.204 -1.216 0 N-CA-C 116.468 1.68 . . . . 25.0 116.468 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -130.96 -54.55 1.05 Allowed 'General case' 0 C--O 1.188 -2.159 0 N-CA-C 107.301 -1.37 . . . . 25.0 107.301 178.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.99 9.93 72.94 Favored Glycine 0 C--O 1.203 -1.812 0 N-CA-C 111.186 -0.766 . . . . 25.0 111.186 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -126.48 9.17 7.14 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 122.767 1.27 . . . . 25.0 112.6 178.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.45 146.07 30.94 Favored Pre-proline 0 C--N 1.306 -1.293 0 O-C-N 120.351 -1.468 . . . . 25.0 111.959 -172.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -70.76 162.73 41.58 Favored 'Trans proline' 0 C--O 1.198 -1.492 0 C-N-CA 122.927 2.418 . . . . 25.0 115.05 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -68.45 157.43 61.88 Favored 'Trans proline' 0 CA--C 1.497 -1.343 0 C-N-CA 113.632 -3.779 . . . . 25.0 113.189 171.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.87 156.68 16.48 Favored 'General case' 0 C--O 1.252 1.223 0 N-CA-C 107.453 -1.314 . . . . 25.0 107.453 173.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 p -82.52 157.05 23.7 Favored 'General case' 0 C--O 1.272 2.243 0 O-C-N 121.995 -0.441 . . . . 25.0 111.261 178.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.6 p -150.43 165.97 31.55 Favored 'General case' 0 C--O 1.245 0.851 0 O-C-N 124.609 1.193 . . . . 25.0 109.854 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.35 -13.36 3.9 Favored 'General case' 0 C--O 1.238 0.465 0 O-C-N 123.422 0.451 . . . . 25.0 110.242 176.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -150.24 164.08 36.63 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 105.774 -1.936 . . . . 25.0 105.774 173.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.62 -32.13 71.28 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 113.809 1.04 . . . . 25.0 113.809 177.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 23.2 t -69.53 -13.45 62.34 Favored 'General case' 0 CA--C 1.568 1.667 0 CA-C-O 118.523 -0.751 . . . . 25.0 111.458 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -67.8 -25.48 65.61 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-N 119.626 1.103 . . . . 50.0 109.641 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.477 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 87.1 m -88.23 174.07 8.41 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 114.287 1.218 . . . . 25.0 114.287 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.2 mt -77.13 164.34 25.76 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 114.652 -1.158 . . . . 25.0 108.226 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.84 135.35 57.28 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 106.251 -1.759 . . . . 25.0 106.251 173.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.17 -9.08 69.99 Favored Glycine 0 C--N 1.351 1.363 0 N-CA-C 114.582 0.593 . . . . 25.0 114.582 -174.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.477 ' HB2' ' HB3' ' A' ' 20' ' ' CYS . 75.3 m -117.64 158.24 24.99 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 107.443 -1.318 . . . . 25.0 107.443 -178.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.1 m -130.55 166.88 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 108.328 -0.99 . . . . 25.0 108.328 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 49.1 t -102.35 134.56 45.45 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 175.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -103.15 172.65 21.66 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 119.948 -1.12 . . . . 25.0 114.383 -175.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -62.5 -19.86 68.89 Favored 'Trans proline' 0 N--CA 1.49 1.315 0 C-N-CA 120.647 0.898 . . . . 25.0 113.533 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -72.42 -14.17 61.63 Favored 'General case' 0 C--O 1.253 1.275 0 O-C-N 123.83 0.706 . . . . 25.0 110.594 179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.83 12.94 76.3 Favored Glycine 0 C--O 1.247 0.939 0 CA-C-O 122.375 0.986 . . . . 25.0 111.102 -176.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -122.44 147.87 45.8 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.7 t -73.54 149.53 42.13 Favored 'General case' 0 N--CA 1.447 -0.621 0 O-C-N 125.348 1.655 . . . . 25.0 109.792 179.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.079 -1.401 . . . . 50.0 111.878 -177.4 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -1.329 0 N-CA-C 110.875 -0.89 . . . . 25.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 38.9 m -76.86 160.86 75.65 Favored Pre-proline 0 C--N 1.313 -0.998 0 CA-C-N 118.917 1.359 . . . . 25.0 113.756 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -69.49 151.99 70.67 Favored 'Trans proline' 0 C--O 1.2 -1.401 0 C-N-CA 113.923 -3.585 . . . . 25.0 111.968 177.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -125.82 65.1 53.11 Favored Pre-proline 0 C--N 1.317 -0.83 0 N-CA-C 112.393 0.516 . . . . 25.0 112.393 -174.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.09 -16.81 28.6 Favored 'Trans proline' 0 C--N 1.364 1.389 0 N-CA-C 116.483 1.686 . . . . 25.0 116.483 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -138.25 142.28 39.89 Favored 'General case' 0 C--O 1.259 1.602 0 N-CA-C 104.826 -2.287 . . . . 25.0 104.826 -177.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.6 -19.74 57.69 Favored Glycine 0 C--O 1.184 -3.003 0 N-CA-C 109.504 -1.438 . . . . 25.0 109.504 -176.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -107.58 20.62 18.62 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.514 1.126 . . . . 25.0 112.574 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -61.6 136.41 94.55 Favored Pre-proline 0 CA--C 1.548 0.878 0 O-C-N 121.914 -0.491 . . . . 25.0 112.002 -173.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -71.38 157.13 57.4 Favored 'Trans proline' 0 C--O 1.206 -1.084 0 O-C-N 122.925 0.96 . . . . 25.0 113.124 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.49 164.04 33.18 Favored 'Trans proline' 0 CA--C 1.489 -1.733 0 C-N-CA 114.4 -3.266 . . . . 25.0 112.591 174.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -115.33 150.98 35.43 Favored 'General case' 0 C--O 1.253 1.244 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 173.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.0 p -86.18 150.58 24.3 Favored 'General case' 0 C--O 1.262 1.729 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.2 p -147.07 166.57 26.5 Favored 'General case' 0 C--O 1.25 1.085 0 O-C-N 125.062 1.476 . . . . 25.0 110.005 175.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.63 -9.33 2.45 Favored 'General case' 0 C--O 1.252 1.221 0 N-CA-C 109.257 -0.646 . . . . 25.0 109.257 177.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -146.75 165.01 30.92 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 105.327 -2.101 . . . . 25.0 105.327 175.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -66.82 -31.33 71.87 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.148 0.499 . . . . 25.0 111.622 173.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.8 m -66.53 -11.95 55.23 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -72.23 -21.46 61.39 Favored 'General case' 0 C--O 1.247 0.922 0 CA-C-O 121.214 0.531 . . . . 50.0 109.991 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.9 m -100.87 168.81 9.4 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-O 122.423 1.106 . . . . 25.0 112.323 -175.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 93.3 mt -76.19 160.25 29.89 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 122.142 0.972 . . . . 25.0 108.612 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.68 131.98 50.77 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 106.126 -1.805 . . . . 25.0 106.126 173.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.89 -8.56 65.57 Favored Glycine 0 N--CA 1.476 1.337 0 C-N-CA 120.549 -0.834 . . . . 25.0 115.053 -172.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 96.7 m -118.47 151.8 37.13 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 103.534 -2.765 . . . . 25.0 103.534 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.0 m -132.13 161.32 41.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 N-CA-C 109.412 -0.588 . . . . 25.0 109.412 -176.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 36.8 t -103.22 125.5 49.92 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 179.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -102.12 178.73 26.99 Favored Glycine 0 N--CA 1.432 -1.586 0 CA-C-O 122.967 1.315 . . . . 25.0 116.301 -174.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -64.6 -15.94 52.63 Favored 'Trans proline' 0 N--CA 1.493 1.494 0 C-N-CA 122.789 2.326 . . . . 25.0 116.158 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -87.17 -1.63 58.03 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.79 15.71 78.76 Favored Glycine 0 N--CA 1.467 0.72 0 N-CA-C 110.526 -1.03 . . . . 25.0 110.526 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -121.25 149.79 42.34 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.8 t -78.23 150.57 33.43 Favored 'General case' 0 C--O 1.221 -0.433 0 O-C-N 124.83 1.332 . . . . 25.0 108.947 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.18 0 CA-C-O 118.143 -1.365 . . . . 50.0 111.422 -179.594 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.949 0 CA-C-O 119.063 -0.854 . . . . 25.0 111.346 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.9 m 64.52 163.26 0.12 Allowed Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 117.222 2.304 . . . . 25.0 117.222 169.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.1 144.59 63.99 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 114.971 -2.886 . . . . 25.0 111.095 176.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -67.36 148.71 98.67 Favored Pre-proline 0 C--O 1.243 0.759 0 N-CA-C 109.663 -0.495 . . . . 25.0 109.663 -178.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -70.97 166.86 27.72 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 118.289 -0.674 . . . . 25.0 112.97 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -73.18 -17.42 61.37 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.505 0.928 . . . . 25.0 113.505 -176.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.85 -156.27 8.92 Favored Glycine 0 C--O 1.216 -0.992 1 N-CA-C 101.305 -4.718 . . . . 25.0 101.305 -177.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -75.55 20.38 0.17 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 119.418 1.609 . . . . 25.0 113.477 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -58.56 146.0 74.82 Favored Pre-proline 0 CA--C 1.539 0.551 0 CA-C-N 116.183 -0.462 . . . . 25.0 110.964 -177.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -73.79 165.83 31.24 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 121.302 1.335 . . . . 25.0 113.266 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.31 161.58 45.3 Favored 'Trans proline' 0 C--N 1.354 0.841 0 O-C-N 121.946 0.445 . . . . 25.0 113.046 177.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pp -70.23 152.12 44.58 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.089 -0.505 . . . . 25.0 110.806 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.1 p -80.98 149.05 29.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.743 -0.662 . . . . 25.0 109.553 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.2 p -150.92 168.32 24.88 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.518 -1.29 . . . . 25.0 107.518 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.17 -27.55 1.59 Allowed 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.356 -0.979 . . . . 25.0 108.356 176.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -130.18 162.62 28.48 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 106.092 -1.818 . . . . 25.0 106.092 173.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -69.75 -25.34 63.78 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 121.065 0.46 . . . . 25.0 110.001 -179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.5 t -68.16 -6.58 24.03 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.847 1.054 . . . . 25.0 113.847 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -82.97 -13.01 56.81 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.784 0.802 . . . . 50.0 109.504 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.1 m -99.78 172.07 7.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 122.073 0.939 . . . . 25.0 113.233 -175.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -68.14 150.87 47.82 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.118 -1.438 . . . . 25.0 107.118 173.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.89 133.91 56.56 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 107.779 -1.193 . . . . 25.0 107.779 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.86 1.15 60.02 Favored Glycine 0 CA--C 1.523 0.581 0 C-N-CA 120.979 -0.629 . . . . 25.0 112.042 -176.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.3 m -121.98 163.23 19.69 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 106.823 -1.547 . . . . 25.0 106.823 175.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.3 m -133.34 164.59 34.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 38.4 t -94.39 127.33 40.22 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 175.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -91.1 169.31 33.3 Favored Glycine 0 CA--C 1.52 0.406 0 C-N-CA 121.312 -0.471 . . . . 25.0 112.788 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.38 -16.54 42.1 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.443 2.762 . . . . 25.0 115.551 -178.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 42.9 m-20 -87.08 0.28 55.5 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.935 -0.478 . . . . 25.0 111.664 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.57 20.14 69.51 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.78 -0.928 . . . . 25.0 110.78 -177.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -128.03 147.94 50.53 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.248 -0.649 . . . . 25.0 109.248 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.2 t -75.93 158.32 32.15 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.284 -0.416 . . . . 25.0 111.444 -177.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.866 0 N-CA-C 111.499 -0.64 . . . . 50.0 111.499 176.545 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.798 0 N-CA-C 110.741 -0.944 . . . . 25.0 110.741 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.3 m -64.87 138.65 97.54 Favored Pre-proline 0 C--O 1.252 1.23 0 CA-C-N 118.625 1.213 . . . . 25.0 110.245 -177.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -77.75 155.62 31.06 Favored 'Trans proline' 0 C--O 1.196 -1.611 0 C-N-CA 115.921 -2.253 . . . . 25.0 116.314 -166.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -125.71 78.18 69.19 Favored Pre-proline 0 C--O 1.253 1.252 0 N-CA-C 105.445 -2.057 . . . . 25.0 105.445 173.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -67.87 -18.91 47.04 Favored 'Trans proline' 0 C--O 1.202 -1.313 0 N-CA-C 117.051 1.904 . . . . 25.0 117.051 -176.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -105.93 -39.47 6.0 Favored 'General case' 0 C--O 1.195 -1.769 0 N-CA-C 107.9 -1.148 . . . . 25.0 107.9 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.36 -23.67 35.22 Favored Glycine 0 C--O 1.203 -1.799 0 N-CA-C 109.81 -1.316 . . . . 25.0 109.81 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -104.48 0.25 28.65 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 122.488 1.137 . . . . 25.0 109.724 174.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -76.07 138.35 68.81 Favored Pre-proline 0 CA--C 1.551 0.995 0 O-C-N 120.952 -1.092 . . . . 25.0 113.052 -173.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -68.46 166.31 26.09 Favored 'Trans proline' 0 C--O 1.22 -0.401 0 C-N-CA 122.049 1.833 . . . . 25.0 112.613 178.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -69.1 154.23 70.66 Favored 'Trans proline' 0 CA--C 1.507 -0.849 0 C-N-CA 115.406 -2.596 . . . . 25.0 113.328 175.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.4 pt? -74.87 159.09 32.33 Favored 'General case' 0 C--O 1.247 0.966 0 O-C-N 120.951 -1.093 . . . . 25.0 110.311 176.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.0 p -84.81 158.32 20.71 Favored 'General case' 0 C--O 1.268 2.028 0 CA-C-O 119.225 -0.417 . . . . 25.0 111.154 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.6 p -152.92 167.03 30.48 Favored 'General case' 0 C--O 1.247 0.943 0 O-C-N 124.6 1.188 . . . . 25.0 110.573 175.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.75 -13.11 2.58 Favored 'General case' 0 C--O 1.251 1.172 0 N-CA-C 109.877 -0.416 . . . . 25.0 109.877 173.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -145.07 165.98 26.68 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 105.906 -1.887 . . . . 25.0 105.906 175.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -60.24 -36.97 78.95 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 171.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -14.64 53.04 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 113.649 0.981 . . . . 25.0 113.649 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -75.52 -11.57 60.05 Favored 'General case' 0 CA--C 1.497 -1.066 0 CA-C-N 119.156 0.889 . . . . 50.0 110.089 179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.446 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 72.5 m -106.34 170.94 7.63 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 122.046 0.926 . . . . 25.0 112.004 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.57 159.56 29.18 Favored 'General case' 0 C--O 1.212 -0.883 0 N-CA-C 108.354 -0.98 . . . . 25.0 108.354 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.14 126.57 27.85 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 105.947 -1.872 . . . . 25.0 105.947 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.86 -4.6 53.15 Favored Glycine 0 N--CA 1.472 1.058 0 N-CA-C 115.056 0.783 . . . . 25.0 115.056 -174.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 20' ' ' CYS . 82.5 m -121.96 159.32 27.18 Favored 'General case' 0 C--N 1.311 -1.074 0 N-CA-C 102.996 -2.965 . . . . 25.0 102.996 178.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.0 m -135.41 167.62 24.96 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 CA-C-N 118.685 0.675 . . . . 25.0 109.818 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.8 t -102.75 125.0 49.32 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 117.887 0.312 . . . . 25.0 111.228 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -95.37 -179.82 36.54 Favored Glycine 0 CA--C 1.537 1.453 0 CA-C-O 123.041 1.356 . . . . 25.0 114.258 -176.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -75.34 -6.76 18.21 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 N-CA-C 115.741 1.4 . . . . 25.0 115.741 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -88.12 -4.55 58.74 Favored 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 108.508 -0.923 . . . . 25.0 108.508 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.8 21.15 69.28 Favored Glycine 0 N--CA 1.471 0.984 0 O-C-N 121.025 -1.047 . . . . 25.0 110.57 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -127.42 146.12 50.59 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 107.2 -1.407 . . . . 25.0 107.2 176.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.6 t -72.68 148.68 44.5 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 124.15 0.906 . . . . 25.0 108.737 -178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.867 0 N-CA-C 109.15 -1.58 . . . . 50.0 109.15 -177.09 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.417 -2.587 0 N-CA-C 111.484 -0.646 . . . . 25.0 111.484 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 12.3 m -66.39 152.89 93.86 Favored Pre-proline 0 CA--C 1.505 -0.752 0 N-CA-C 115.221 1.563 . . . . 25.0 115.221 -177.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD2' HD12 ' A' ' 21' ' ' LEU . 73.4 Cg_endo -77.44 154.45 31.62 Favored 'Trans proline' 0 C--O 1.207 -1.045 0 C-N-CA 117.814 -0.991 . . . . 25.0 113.705 -178.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -154.32 148.52 19.17 Favored Pre-proline 0 CA--C 1.483 -1.616 0 N-CA-C 105.124 -2.176 . . . . 25.0 105.124 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -72.67 -22.43 20.71 Favored 'Trans proline' 0 C--N 1.382 2.302 0 C-N-CA 123.195 2.597 . . . . 25.0 116.876 -178.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 -143.08 158.26 43.77 Favored 'General case' 0 CA--C 1.497 -1.074 0 N-CA-C 100.456 -3.905 . . . . 25.0 100.456 178.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.32 10.7 67.35 Favored Glycine 0 C--O 1.19 -2.606 0 C-N-CA 120.652 -0.785 . . . . 25.0 113.159 -177.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -90.01 -31.7 17.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 117.363 0.582 . . . . 25.0 111.347 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.3 p30 -72.29 144.37 86.88 Favored Pre-proline 0 C--O 1.241 0.617 0 C-N-CA 118.77 -1.172 . . . . 25.0 113.507 -174.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.71 159.48 50.74 Favored 'Trans proline' 0 C--O 1.211 -0.869 0 O-C-N 123.749 1.394 . . . . 25.0 114.721 -178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -65.55 155.16 70.4 Favored 'Trans proline' 0 C--O 1.216 -0.585 0 C-N-CA 115.944 -2.237 . . . . 25.0 113.474 172.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.22 157.09 38.29 Favored 'General case' 0 C--O 1.254 1.327 0 O-C-N 122.329 -0.232 . . . . 25.0 110.833 178.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.5 p -78.87 151.49 31.77 Favored 'General case' 0 C--O 1.27 2.141 0 N-CA-C 109.659 -0.497 . . . . 25.0 109.659 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.7 p -150.69 170.25 19.64 Favored 'General case' 0 C--O 1.25 1.119 0 O-C-N 123.879 0.737 . . . . 25.0 110.452 177.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.6 -15.39 1.61 Allowed 'General case' 0 C--O 1.241 0.616 0 N-CA-C 110.176 -0.305 . . . . 25.0 110.176 170.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -138.9 165.36 27.27 Favored 'General case' 0 CA--C 1.558 1.257 0 N-CA-C 102.729 -3.063 . . . . 25.0 102.729 172.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -70.71 -25.32 62.9 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.016 -0.427 . . . . 25.0 111.815 176.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -12.63 53.83 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.801 0.667 . . . . 25.0 112.801 178.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 75.7 m-20 -76.23 -16.14 59.88 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 121.322 0.582 . . . . 50.0 109.995 177.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 t -109.59 -169.07 1.41 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.671 0.748 . . . . 25.0 112.409 -175.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.411 HD12 ' HD2' ' A' ' 3' ' ' PRO . 60.5 mt -78.03 156.28 30.19 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 107.202 -1.407 . . . . 25.0 107.202 -174.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.65 130.77 46.48 Favored 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 105.965 -1.865 . . . . 25.0 105.965 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.53 -14.5 65.15 Favored Glycine 0 C--N 1.35 1.337 0 N-CA-C 115.818 1.087 . . . . 25.0 115.818 -176.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.445 ' HB3' ' SG ' ' A' ' 32' ' ' CYS . 33.3 m -87.13 166.19 15.17 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 105.289 -2.115 . . . . 25.0 105.289 176.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.9 m -126.13 174.03 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.238 0 C-N-CA 120.368 -0.533 . . . . 25.0 110.2 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.4 t -121.31 118.29 29.14 Favored 'General case' 0 N--CA 1.44 -0.971 0 N-CA-C 109.324 -0.621 . . . . 25.0 109.324 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.24 177.3 42.6 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-O 123.031 1.351 . . . . 25.0 113.085 -176.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.09 -13.89 26.02 Favored 'Trans proline' 0 N--CA 1.497 1.709 0 N-CA-C 114.746 1.018 . . . . 25.0 114.746 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -76.67 -3.95 40.63 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 109.504 -0.554 . . . . 25.0 109.504 176.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.97 19.25 70.5 Favored Glycine 0 N--CA 1.473 1.147 0 O-C-N 120.842 -1.161 . . . . 25.0 112.305 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -127.09 145.91 50.56 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 177.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 37.2 t -70.27 143.44 52.1 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 114.238 -1.346 . . . . 25.0 110.862 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.667 -1.074 . . . . 50.0 111.13 177.709 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 N-CA-C 110.999 -0.84 . . . . 25.0 110.999 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 1.7 m 60.21 157.17 0.11 Allowed Pre-proline 0 N--CA 1.478 0.927 0 N-CA-C 118.847 2.906 . . . . 25.0 118.847 175.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -78.03 153.95 29.06 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 115.549 -2.501 . . . . 25.0 114.459 -177.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.69 144.68 42.98 Favored Pre-proline 0 C--O 1.263 1.796 0 N-CA-C 105.727 -1.953 . . . . 25.0 105.727 178.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_endo -73.81 -20.45 19.87 Favored 'Trans proline' 0 C--N 1.37 1.696 0 C-N-CA 121.88 1.72 . . . . 25.0 113.659 176.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -138.96 -48.07 0.49 Allowed 'General case' 0 C--O 1.188 -2.154 0 CA-C-O 122.381 1.086 . . . . 25.0 110.796 -178.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.44 -7.31 81.63 Favored Glycine 0 C--O 1.198 -2.152 0 O-C-N 120.802 -1.186 . . . . 25.0 112.995 174.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -84.26 -7.93 59.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 122.952 1.358 . . . . 25.0 110.305 175.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.8 157.03 69.85 Favored Pre-proline 0 CA--C 1.55 0.969 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 -176.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -64.67 167.41 15.41 Favored 'Trans proline' 0 C--O 1.206 -1.075 0 C-N-CA 121.988 1.792 . . . . 25.0 112.687 176.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -66.33 153.93 76.16 Favored 'Trans proline' 0 CA--C 1.508 -0.788 1 C-N-CA 112.576 -4.482 . . . . 25.0 113.562 173.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.38 153.47 29.72 Favored 'General case' 0 C--O 1.255 1.392 0 O-C-N 122.175 -0.328 . . . . 25.0 111.027 178.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.5 p -78.88 158.25 28.13 Favored 'General case' 0 C--O 1.272 2.251 0 N-CA-C 112.125 0.417 . . . . 25.0 112.125 -177.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 p -150.28 163.4 38.4 Favored 'General case' 0 C--O 1.253 1.273 0 O-C-N 124.752 1.282 . . . . 25.0 111.152 171.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.14 -21.45 1.62 Allowed 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 107.053 -1.462 . . . . 25.0 107.053 177.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -139.25 168.44 19.83 Favored 'General case' 0 CA--C 1.562 1.428 0 N-CA-C 105.553 -2.017 . . . . 25.0 105.553 171.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -66.74 -26.02 66.78 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.02 -0.536 . . . . 25.0 111.226 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.9 t -69.65 -14.1 62.64 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 119.55 -0.86 . . . . 25.0 111.232 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -70.01 -16.78 63.22 Favored 'General case' 0 CA--C 1.507 -0.686 0 O-C-N 121.016 -1.052 . . . . 50.0 108.876 176.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 77.7 m -104.13 173.23 6.39 Favored 'General case' 0 N--CA 1.481 1.082 0 CA-C-O 122.087 0.946 . . . . 25.0 111.298 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 mp -81.0 159.62 24.8 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 106.325 -1.732 . . . . 25.0 106.325 179.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.74 129.15 38.96 Favored 'General case' 0 CA--C 1.56 1.348 0 N-CA-C 105.049 -2.204 . . . . 25.0 105.049 175.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.19 -8.22 62.65 Favored Glycine 0 N--CA 1.472 1.085 0 O-C-N 124.307 1.005 . . . . 25.0 114.492 -173.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 57.1 m -114.33 154.15 28.54 Favored 'General case' 0 C--O 1.246 0.901 0 N-CA-C 103.041 -2.948 . . . . 25.0 103.041 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 m -133.89 164.9 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.775 0 CA-C-N 118.738 0.699 . . . . 25.0 111.159 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.9 t -101.69 113.84 27.36 Favored 'General case' 0 CA--C 1.558 1.288 0 CA-C-N 116.307 -0.406 . . . . 25.0 111.74 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.33 177.38 42.5 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-O 123.186 1.437 . . . . 25.0 116.626 -172.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -63.1 -17.61 60.99 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 N-CA-C 116.923 1.855 . . . . 25.0 116.923 178.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.2 m-20 -82.59 -7.27 59.65 Favored 'General case' 0 C--O 1.251 1.176 0 N-CA-C 108.781 -0.822 . . . . 25.0 108.781 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.92 17.84 64.54 Favored Glycine 0 N--CA 1.471 0.967 0 CA-C-O 122.749 1.194 . . . . 25.0 112.159 -177.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -126.61 147.33 49.91 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 107.774 -1.195 . . . . 25.0 107.774 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.0 t -74.3 148.69 41.18 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 114.161 -1.381 . . . . 25.0 109.598 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.336 0 N-CA-C 110.732 -0.947 . . . . 50.0 110.732 -179.55 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.94 0 N-CA-C 110.103 -1.199 . . . . 25.0 110.103 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.8 m -75.48 140.28 71.96 Favored Pre-proline 0 C--N 1.306 -1.317 0 CA-C-N 118.691 1.245 . . . . 25.0 112.616 -172.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.1 152.73 40.64 Favored 'Trans proline' 0 C--O 1.215 -0.672 0 C-N-CA 115.335 -2.643 . . . . 25.0 113.706 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -95.51 154.29 39.32 Favored Pre-proline 0 C--O 1.275 2.441 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 179.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -75.9 161.55 35.97 Favored 'Trans proline' 0 CA--C 1.538 0.713 0 C-N-CA 120.83 1.02 . . . . 25.0 111.236 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -59.02 -36.31 74.74 Favored 'General case' 0 C--O 1.176 -2.783 0 CA-C-O 121.694 0.759 . . . . 25.0 109.99 -173.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.2 -45.76 0.49 Allowed Glycine 0 C--O 1.195 -2.313 0 N-CA-C 115.71 1.044 . . . . 25.0 115.71 168.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -90.76 -25.94 19.73 Favored 'General case' 0 C--O 1.245 0.837 0 CA-C-O 123.528 1.632 . . . . 25.0 109.229 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -85.86 149.17 50.2 Favored Pre-proline 0 CA--C 1.556 1.188 0 O-C-N 120.521 -1.362 . . . . 25.0 109.759 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -68.95 165.28 30.57 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 121.946 1.764 . . . . 25.0 112.869 178.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -61.71 164.72 15.32 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 116.384 -1.944 . . . . 25.0 112.284 173.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.1 pp -63.55 149.73 45.6 Favored 'General case' 0 C--O 1.263 1.77 0 O-C-N 121.316 -0.865 . . . . 25.0 112.314 -177.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.7 p -93.51 164.0 13.35 Favored 'General case' 0 C--O 1.258 1.52 0 N-CA-C 112.932 0.715 . . . . 25.0 112.932 -177.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.7 p -154.23 159.27 41.25 Favored 'General case' 0 C--O 1.26 1.635 0 N-CA-C 108.883 -0.784 . . . . 25.0 108.883 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.34 -12.4 7.32 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 121.243 0.544 . . . . 25.0 109.58 176.17 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -145.36 164.39 31.63 Favored 'General case' 0 CA--C 1.558 1.263 0 N-CA-C 105.274 -2.121 . . . . 25.0 105.274 174.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -56.96 -39.47 74.65 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 124.088 0.867 . . . . 25.0 112.194 172.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.72 -15.14 51.62 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.946 1.462 . . . . 25.0 114.946 -179.497 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -76.53 -9.72 58.86 Favored 'General case' 0 CA--C 1.498 -1.021 0 CA-C-N 118.66 0.664 . . . . 50.0 111.389 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.3 m -94.35 174.81 6.95 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.29 1.219 . . . . 25.0 114.29 -178.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mp -80.3 161.49 25.06 Favored 'General case' 0 C--O 1.209 -1.058 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 -178.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.87 124.49 20.33 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 121.291 -0.881 . . . . 25.0 109.036 -179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.8 -10.27 66.28 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 116.407 1.323 . . . . 25.0 116.407 -175.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.5 m -104.98 159.55 15.72 Favored 'General case' 0 CA--C 1.499 -1.007 0 N-CA-C 107.157 -1.423 . . . . 25.0 107.157 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.6 m -129.51 166.68 26.48 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.107 0 N-CA-C 108.328 -0.99 . . . . 25.0 108.328 -179.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.2 t -94.84 132.39 39.69 Favored 'General case' 0 C--O 1.243 0.744 0 CA-C-O 119.042 -0.504 . . . . 25.0 110.475 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.92 174.1 29.89 Favored Glycine 0 C--O 1.253 1.343 0 CA-C-O 122.89 1.272 . . . . 25.0 114.611 -177.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -76.34 -10.33 19.05 Favored 'Trans proline' 0 N--CA 1.5 1.878 0 N-CA-C 115.23 1.204 . . . . 25.0 115.23 -178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -90.36 0.9 57.06 Favored 'General case' 0 C--O 1.25 1.128 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 176.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.45 11.06 75.87 Favored Glycine 0 C--O 1.249 1.044 0 CA-C-O 122.519 1.066 . . . . 25.0 113.149 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -115.2 149.68 37.31 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.41 -1.33 . . . . 25.0 107.41 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.0 t -74.49 152.13 39.44 Favored 'General case' 0 CA--C 1.514 -0.438 0 N-CA-C 107.55 -1.278 . . . . 25.0 107.55 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.886 0 N-CA-C 110.269 -1.133 . . . . 50.0 110.269 -176.897 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.344 0 N-CA-C 111.757 -0.537 . . . . 25.0 111.757 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 62.8 m -71.16 156.51 91.77 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 122.777 0.431 . . . . 25.0 110.571 -177.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -77.91 164.34 27.65 Favored 'Trans proline' 0 C--N 1.347 0.499 0 O-C-N 121.71 0.321 . . . . 25.0 112.68 -179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 57.6 80.86 0.27 Allowed Pre-proline 0 N--CA 1.485 1.292 0 C-N-CA 124.097 0.959 . . . . 25.0 113.314 178.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -55.23 148.21 51.24 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 121.445 1.43 . . . . 25.0 113.931 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -122.86 4.12 9.42 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 115.699 -0.682 . . . . 25.0 112.544 -174.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.96 -162.27 15.46 Favored Glycine 0 C--N 1.321 -0.27 0 N-CA-C 109.494 -1.442 . . . . 25.0 109.494 -173.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -73.79 20.07 0.1 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.644 1.177 . . . . 25.0 114.084 -176.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.76 144.99 32.9 Favored Pre-proline 0 CA--C 1.555 1.167 0 N-CA-C 114.493 1.294 . . . . 25.0 114.493 -176.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -74.5 159.61 42.75 Favored 'Trans proline' 0 C--O 1.238 0.496 0 N-CA-C 113.164 0.409 . . . . 25.0 113.164 -178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -73.25 155.51 51.5 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 117.58 -1.147 . . . . 25.0 113.002 178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.2 pt? -78.23 159.57 28.44 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 174.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.1 p -77.97 153.68 32.25 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.415 -0.957 . . . . 25.0 108.415 174.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.5 p -156.09 165.5 36.25 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.385 -0.969 . . . . 25.0 108.385 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.24 -17.38 3.03 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.829 -0.623 . . . . 25.0 109.544 174.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -141.95 161.01 39.04 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 104.845 -2.28 . . . . 25.0 104.845 175.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -69.55 -25.77 64.17 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.953 0.406 . . . . 25.0 110.338 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -14.25 26.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.225 1.194 . . . . 25.0 114.225 177.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -79.18 -15.1 58.58 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.399 0.619 . . . . 50.0 110.162 179.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 71.3 m -106.85 170.17 8.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.773 -0.649 . . . . 25.0 110.363 -177.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.8 mt -76.62 152.47 35.86 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.054 -1.091 . . . . 25.0 108.054 177.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.86 133.37 54.44 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.771 -1.196 . . . . 25.0 107.771 177.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 110.18 -15.45 30.52 Favored Glycine 0 CA--C 1.518 0.273 0 N-CA-C 110.442 -1.063 . . . . 25.0 110.442 -175.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 m -113.84 164.99 13.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.988 -1.116 . . . . 25.0 107.988 175.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -136.09 167.67 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 177.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 35.0 t -100.5 130.0 46.52 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.98 -0.748 . . . . 25.0 108.98 175.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -97.46 169.07 24.5 Favored Glycine 0 CA--C 1.522 0.501 0 C-N-CA 120.876 -0.678 . . . . 25.0 112.956 -177.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -60.16 -16.49 40.4 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 124.173 3.249 . . . . 25.0 115.58 -177.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -84.45 -1.51 55.76 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.574 -0.285 . . . . 25.0 111.717 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.19 19.05 70.38 Favored Glycine 0 N--CA 1.459 0.217 0 N-CA-C 110.457 -1.057 . . . . 25.0 110.457 -176.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -128.6 149.14 50.77 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.709 -0.849 . . . . 25.0 108.709 179.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.4 t -72.24 162.34 29.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.807 -1.088 . . . . 25.0 111.056 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 CA-C-O 117.784 -1.564 . . . . 50.0 109.806 177.665 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.357 0 N-CA-C 111.108 -0.797 . . . . 25.0 111.108 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 22.5 m -71.16 157.89 89.25 Favored Pre-proline 0 CA--C 1.552 1.038 0 CA-C-O 121.237 0.542 . . . . 25.0 109.646 -173.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -70.7 144.28 48.58 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 N-CA-C 114.455 0.906 . . . . 25.0 114.455 -176.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.8 ptt85 -128.93 78.96 75.44 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-N 115.693 -0.685 . . . . 25.0 109.269 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -77.12 -6.72 16.81 Favored 'Trans proline' 0 C--O 1.213 -0.759 0 N-CA-C 114.887 1.072 . . . . 25.0 114.887 -173.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 91.0 mtt-85 -122.87 -40.65 2.41 Favored 'General case' 0 C--O 1.207 -1.133 0 N-CA-C 112.604 0.594 . . . . 25.0 112.604 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.77 6.92 88.46 Favored Glycine 0 CA--C 1.523 0.553 0 C-N-CA 120.276 -0.964 . . . . 25.0 111.962 -173.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -127.46 -26.79 2.97 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-O 122.137 0.97 . . . . 25.0 113.198 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -81.72 148.77 62.45 Favored Pre-proline 0 CA--C 1.546 0.815 0 N-CA-C 109.148 -0.686 . . . . 25.0 109.148 -174.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.82 162.71 37.02 Favored 'Trans proline' 0 CA--C 1.537 0.657 0 C-N-CA 122.937 2.425 . . . . 25.0 114.777 -176.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.21 160.68 48.88 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 117.936 -0.909 . . . . 25.0 113.158 179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.73 154.39 34.15 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.378 -0.828 . . . . 25.0 109.013 178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -81.08 152.93 27.61 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.786 -0.188 . . . . 25.0 111.217 -179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.3 p -154.96 170.37 21.89 Favored 'General case' 0 C--O 1.21 -1.015 0 CA-C-O 122.444 1.116 . . . . 25.0 108.947 179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 t -138.05 -28.62 0.86 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.358 -1.292 . . . . 25.0 108.645 179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -133.75 162.76 31.09 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 106.67 -1.604 . . . . 25.0 106.67 173.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -66.46 -27.14 67.58 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 121.02 -1.05 . . . . 25.0 110.787 -177.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.3 t -68.35 -7.78 34.23 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 112.57 0.582 . . . . 25.0 112.57 -177.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -80.52 -8.53 59.61 Favored 'General case' 0 C--O 1.248 1.014 0 N-CA-C 109.106 -0.701 . . . . 50.0 109.106 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.402 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 70.8 m -112.24 170.82 7.9 Favored 'General case' 0 C--N 1.31 -1.138 0 CA-C-O 122.041 0.924 . . . . 25.0 112.039 -176.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 85.6 mt -74.78 157.64 34.84 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.736 -0.838 . . . . 25.0 108.736 176.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.96 129.97 43.42 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 108.206 -1.035 . . . . 25.0 108.206 179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.06 1.45 59.63 Favored Glycine 0 CA--C 1.518 0.22 0 CA-C-N 115.122 -0.945 . . . . 25.0 113.389 -176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 20' ' ' CYS . 62.8 m -118.08 162.32 18.39 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 105.367 -2.086 . . . . 25.0 105.367 176.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -131.62 164.58 34.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 C-N-CA 123.179 0.591 . . . . 25.0 111.19 -176.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 48.8 t -105.09 119.58 39.38 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.529 -0.915 . . . . 25.0 108.529 174.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -89.84 171.37 37.51 Favored Glycine 0 N--CA 1.451 -0.319 0 N-CA-C 115.465 0.946 . . . . 25.0 115.465 -176.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -61.66 -14.87 38.38 Favored 'Trans proline' 0 C--O 1.215 -0.666 0 C-N-CA 122.862 2.375 . . . . 25.0 114.559 -177.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 60.9 m-20 -85.58 -3.96 59.02 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.099 -0.5 . . . . 25.0 111.372 -176.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.47 20.55 71.56 Favored Glycine 0 C--N 1.32 -0.32 0 N-CA-C 110.62 -0.992 . . . . 25.0 110.62 -175.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -128.03 145.9 50.84 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 109.253 -0.647 . . . . 25.0 109.253 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 10.2 t -76.66 155.08 33.68 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.124 -1.398 . . . . 25.0 109.894 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.681 0 CA-C-O 118.006 -1.441 . . . . 50.0 109.709 176.337 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.769 0 N-CA-C 111.553 -0.619 . . . . 25.0 111.553 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 95.4 m -56.6 142.97 69.45 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 112.901 0.704 . . . . 25.0 112.901 -175.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -77.19 140.1 19.47 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 116.916 -1.589 . . . . 25.0 112.586 -177.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtp180 42.45 63.01 7.49 Favored Pre-proline 0 N--CA 1.481 1.097 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 79.1 Cg_endo -70.81 152.55 63.96 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 117.88 -0.946 . . . . 25.0 112.827 -176.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -68.58 -42.67 77.93 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-N 116.077 -0.51 . . . . 25.0 112.238 -178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.75 -24.74 5.64 Favored Glycine 0 C--O 1.216 -0.988 0 C-N-CA 121.614 -0.327 . . . . 25.0 113.29 -175.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -100.47 20.75 14.35 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.66 1.184 . . . . 25.0 110.407 -177.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -134.7 148.46 67.34 Favored Pre-proline 0 CA--C 1.539 0.533 0 O-C-N 121.238 -0.914 . . . . 25.0 110.081 -173.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -77.87 160.56 30.65 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 121.118 1.212 . . . . 25.0 112.842 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -72.51 152.92 54.89 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 116.336 -1.976 . . . . 25.0 112.343 179.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -102.9 155.26 18.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.72 -0.845 . . . . 25.0 108.72 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.3 p -80.71 156.77 26.11 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.939 -0.393 . . . . 25.0 109.939 178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.1 p -155.28 164.32 38.94 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 107.267 -1.383 . . . . 25.0 107.267 176.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.85 -15.44 3.03 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 174.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -145.98 162.74 37.16 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 105.032 -2.21 . . . . 25.0 105.032 174.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -71.72 -25.63 62.15 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.111 0.481 . . . . 25.0 109.746 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.77 -11.82 14.12 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 114.392 1.256 . . . . 25.0 114.392 177.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -78.89 -10.03 59.68 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.115 0.483 . . . . 50.0 110.403 179.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.2 m -122.91 -178.61 3.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.42 0.628 . . . . 25.0 112.221 -173.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.6 mt -67.41 150.53 48.8 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 177.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.45 130.17 45.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 174.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.89 -30.32 8.83 Favored Glycine 0 C--O 1.23 -0.11 0 N-CA-C 110.772 -0.931 . . . . 25.0 110.772 -176.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 92.9 m -71.78 161.76 30.47 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 106.917 -1.512 . . . . 25.0 106.917 173.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.5 m -132.8 151.21 34.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 173.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.9 t -94.64 124.13 38.5 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.125 -1.435 . . . . 25.0 107.125 176.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -90.88 166.37 31.21 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.728 -0.749 . . . . 25.0 113.424 -175.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -61.41 -15.47 41.02 Favored 'Trans proline' 0 C--O 1.22 -0.391 0 C-N-CA 123.682 2.922 . . . . 25.0 115.333 -178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -85.55 0.8 51.42 Favored 'General case' 0 C--O 1.221 -0.419 0 N-CA-C 111.817 0.302 . . . . 25.0 111.817 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.33 20.05 70.35 Favored Glycine 0 C--O 1.225 -0.415 0 C-N-CA 120.74 -0.743 . . . . 25.0 111.479 -177.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -128.83 145.24 51.25 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.6 t -87.1 154.99 20.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.464 -0.789 . . . . 25.0 110.952 -175.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.146 0 CA-C-O 119.594 -0.559 . . . . 50.0 113.655 178.328 . . . . . . . . 0 0 . 1 stop_ save_