data_2lo2_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2lo2 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 . . . . . 0 N--CA 1.44 -0.95 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.5 pt -120.66 167.78 13.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -83.08 112.8 20.13 Favored 'General case' 0 C--N 1.276 -2.624 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.14 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 43.2 t -72.27 138.24 47.3 Favored 'General case' 0 N--CA 1.421 -1.915 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 174.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.94 -9.94 29.95 Favored 'General case' 0 C--N 1.271 -2.829 0 CA-C-O 122.069 0.938 . . . . 0.0 108.524 -177.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.427 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 15.7 m-80 -84.92 -37.38 20.62 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 114.46 -1.245 . . . . 0.0 112.529 -176.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.5 p -124.6 -3.68 7.79 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.177 0.513 . . . . 0.0 110.898 173.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.17 36.58 60.14 Favored Glycine 0 C--O 1.222 -0.622 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.193 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.571 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 7.9 tpt180 -119.38 144.67 46.77 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -175.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.73 102.13 1.46 Allowed 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 126.848 2.059 . . . . 0.0 108.146 172.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.441 HG11 ' CG ' ' A' ' 27' ' ' HIS . 49.1 t -133.15 151.33 33.8 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.842 -177.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m -61.81 126.61 27.97 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.67 -24.88 67.97 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 124.271 1.028 . . . . 0.0 109.219 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -78.4 -7.83 57.8 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.297 -1.32 . . . . 0.0 110.374 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -131.7 8.25 4.51 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.979 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.418 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -65.34 -37.31 86.67 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.044 -170.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.29 -50.19 66.66 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.36 94.11 Favored 'General case' 0 C--O 1.272 2.276 0 CA-C-O 122.721 1.248 . . . . 0.0 108.716 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.441 ' CG ' HG11 ' A' ' 19' ' ' VAL . 67.7 t60 -58.44 -44.73 89.27 Favored 'General case' 0 C--O 1.187 -2.185 0 CA-C-N 113.235 -1.802 . . . . 0.0 109.086 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.426 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -63.55 -35.29 80.01 Favored 'General case' 0 CA--C 1.483 -1.605 0 O-C-N 123.472 0.483 . . . . 0.0 111.331 -178.662 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -48.28 81.11 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 174.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -69.31 -41.6 76.53 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.127 0.489 . . . . 0.0 110.027 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 33.6 t -62.21 -48.13 81.39 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 125.057 1.343 . . . . 0.0 111.371 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 C--N 1.316 -0.879 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 -176.751 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--O 1.245 0.823 0 CA-C-O 120.746 0.308 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.03 166.76 27.8 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 108.264 -1.014 . . . . 0.0 108.264 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -73.07 114.81 11.65 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.309 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 50.4 t -71.18 129.59 39.31 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 174.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -87.52 -6.8 58.2 Favored 'General case' 0 C--N 1.269 -2.901 0 CA-C-O 122.294 1.045 . . . . 0.0 108.521 -176.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.46 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 39.8 m-80 -98.13 -16.75 19.4 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.072 -1.422 . . . . 0.0 113.413 -175.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.5 p -148.1 2.29 0.67 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.677 173.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.85 35.94 90.36 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.405 -178.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.511 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 74.2 ttt180 -119.15 149.02 42.42 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.133 -174.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -80.88 105.05 11.81 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 124.84 1.256 . . . . 0.0 107.876 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.33 145.67 34.25 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.359 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.195 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.449 ' HB3' ' HB2' ' A' ' 23' ' ' ARG . 30.1 t -58.85 126.74 28.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.507 0.723 . . . . 0.0 109.492 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.37 70.39 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 123.832 0.853 . . . . 0.0 111.219 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -76.13 -29.02 57.67 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.378 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 1.2 mpt_? -101.58 2.38 38.89 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.924 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 24' ' ' LEU . 1.2 tm? -62.82 -36.18 82.35 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.222 -173.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -57.03 -54.18 49.71 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 123.401 0.438 . . . . 0.0 112.147 178.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.75 95.23 Favored 'General case' 0 C--O 1.27 2.178 0 CA-C-O 122.153 0.978 . . . . 0.0 109.111 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -59.34 -45.35 91.62 Favored 'General case' 0 C--O 1.189 -2.129 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.079 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -28.69 67.76 Favored 'General case' 0 CA--C 1.488 -1.404 0 C-N-CA 122.535 0.334 . . . . 0.0 111.256 -178.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 29.8 mm-40 -63.28 -45.61 90.63 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -74.96 -38.71 61.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.66 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.0 t -60.02 -37.8 80.8 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 124.801 1.24 . . . . 0.0 109.914 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--O 1.221 -0.413 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -177.432 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 . . . . . 0 N--CA 1.422 -1.869 0 CA-C-O 121.186 0.517 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.0 tp -129.9 151.44 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.641 0 N-CA-C 105.423 -2.065 . . . . 0.0 105.423 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -80.49 128.7 33.89 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 118.47 -1.292 . . . . 0.0 109.604 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 51.1 t -80.48 140.99 35.63 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 174.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.15 -10.08 24.74 Favored 'General case' 0 C--N 1.274 -2.689 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.456 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 15.0 m-80 -83.06 -20.45 34.95 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 113.909 -1.496 . . . . 0.0 113.051 -177.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.413 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 24.6 p -140.7 4.17 1.91 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.253 0.549 . . . . 0.0 110.549 170.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 59.91 38.59 94.33 Favored Glycine 0 CA--C 1.505 -0.573 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.053 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.413 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.4 tpp180 -120.65 142.52 49.37 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.728 -173.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -76.21 100.63 5.11 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 125.942 1.697 . . . . 0.0 107.807 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.84 152.88 38.02 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.415 ' HB3' ' HB2' ' A' ' 23' ' ' ARG . 39.5 t -54.92 127.66 29.79 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 122.974 0.51 . . . . 0.0 110.823 -176.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.6 -27.96 69.56 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.816 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -83.09 -20.32 35.11 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.945 0.879 . . . . 0.0 110.724 -178.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 98.4 mtt180 -107.79 4.02 25.12 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.652 -176.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.442 ' CD1' HD22 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -70.45 -37.63 74.37 Favored 'General case' 0 C--O 1.21 -1.017 0 O-C-N 123.55 0.531 . . . . 0.0 111.661 -171.405 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.58 68.36 Favored 'General case' 0 C--O 1.258 1.529 0 CA-C-O 121.393 0.616 . . . . 0.0 111.072 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.04 89.6 Favored 'General case' 0 C--O 1.251 1.153 0 CA-C-O 122.199 0.999 . . . . 0.0 108.786 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.42 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 69.3 t60 -58.68 -43.85 90.07 Favored 'General case' 0 C--O 1.179 -2.636 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.637 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.442 HD22 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -65.44 -36.14 83.02 Favored 'General case' 0 CA--C 1.481 -1.681 0 CA-C-N 117.96 0.346 . . . . 0.0 110.491 -179.101 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -59.04 -42.4 90.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -74.04 -44.43 54.35 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.827 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.9 t -57.07 -45.56 83.19 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 125.434 1.494 . . . . 0.0 109.702 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.441 -0.891 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.488 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 . . . . . 0 N--CA 1.422 -1.858 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.6 tp -138.22 161.55 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.213 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -74.51 117.87 16.82 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.008 0.432 . . . . 0.0 110.97 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.566 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 51.2 t -75.6 134.06 40.76 Favored 'General case' 0 N--CA 1.429 -1.511 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 174.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -84.95 -15.74 43.34 Favored 'General case' 0 C--N 1.276 -2.603 0 CA-C-O 122.101 0.953 . . . . 0.0 109.054 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.566 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 37.4 m-80 -86.72 -43.26 12.71 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.203 -1.362 . . . . 0.0 113.486 -171.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 21.7 p -118.26 5.33 11.9 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.842 173.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.54 38.29 95.57 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.466 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 78.9 ttt180 -120.2 154.0 35.47 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.542 -171.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -82.18 98.55 8.78 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 125.473 1.509 . . . . 0.0 107.666 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.9 t -126.99 147.62 31.89 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.465 ' HB3' ' HB3' ' A' ' 23' ' ' ARG . 28.2 t -46.17 128.44 9.52 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 124.469 1.108 . . . . 0.0 111.5 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.96 93.79 Favored 'General case' 0 C--N 1.31 -1.122 0 C-N-CA 124.335 1.054 . . . . 0.0 110.177 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -72.1 -29.35 64.0 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.034 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.465 ' HB3' ' HB3' ' A' ' 20' ' ' SER . 39.5 ttm180 -101.17 -1.44 33.87 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.329 0.585 . . . . 0.0 111.786 -175.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 29.5 tp -66.22 -19.94 65.97 Favored 'General case' 0 C--O 1.209 -1.078 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -176.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.13 -51.73 20.02 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.793 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.76 -37.06 83.86 Favored 'General case' 0 C--O 1.273 2.326 0 CA-C-O 122.102 0.953 . . . . 0.0 109.137 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 61.9 t60 -57.56 -47.3 82.45 Favored 'General case' 0 C--O 1.198 -1.624 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.847 174.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -62.62 -36.68 83.54 Favored 'General case' 0 CA--C 1.479 -1.753 0 O-C-N 123.855 0.722 . . . . 0.0 110.991 -178.716 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -58.59 -43.67 89.6 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.562 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -76.44 -45.2 32.44 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.457 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 t -54.34 -42.22 69.99 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.54 1.136 . . . . 0.0 110.858 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -177.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.559 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 6.0 m-85 . . . . . 0 N--CA 1.44 -0.945 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -131.55 166.23 29.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 175.158 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -70.43 122.96 20.62 Favored 'General case' 0 C--N 1.284 -2.263 0 CA-C-O 121.373 0.606 . . . . 0.0 110.21 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.11 129.7 39.13 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 172.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -81.54 -9.36 59.71 Favored 'General case' 0 C--N 1.274 -2.707 0 CA-C-O 121.667 0.746 . . . . 0.0 109.792 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -101.04 -10.06 20.85 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -172.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.7 p -149.18 6.16 0.67 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.882 0.372 . . . . 0.0 110.935 170.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.6 36.77 93.13 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.458 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.467 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 17.2 tpt180 -120.21 136.66 54.56 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -171.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.59 99.66 0.16 Allowed 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 125.995 1.718 . . . . 0.0 109.159 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.404 ' O ' HD11 ' A' ' 10' ' ' ILE . 59.1 t -135.09 137.39 50.49 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.923 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.559 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 38.7 m -48.66 132.3 17.62 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 123.907 0.883 . . . . 0.0 112.4 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.62 -30.02 66.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.765 0.793 . . . . 0.0 110.433 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -77.46 -24.61 50.23 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.151 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -100.2 -16.01 17.91 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.074 -174.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.15 -37.7 72.44 Favored 'General case' 0 C--O 1.2 -1.532 0 C-N-CA 124.724 1.21 . . . . 0.0 111.289 -173.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.61 -63.8 1.08 Allowed 'General case' 0 C--O 1.261 1.664 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.53 77.98 Favored 'General case' 0 C--O 1.261 1.661 0 CA-C-O 121.694 0.759 . . . . 0.0 109.439 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -56.38 -45.15 80.69 Favored 'General case' 0 C--O 1.193 -1.89 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.407 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.452 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -68.53 -32.71 72.86 Favored 'General case' 0 CA--C 1.476 -1.873 0 O-C-N 123.185 0.303 . . . . 0.0 111.07 -178.112 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -58.99 -43.36 91.45 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -77.7 -38.34 47.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.416 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.452 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 22.0 t -62.9 -31.31 72.34 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 124.229 1.012 . . . . 0.0 110.898 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.437 -1.115 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 179.777 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 . . . . . 0 N--CA 1.431 -1.387 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.68 166.87 20.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -78.34 110.73 13.64 Favored 'General case' 0 C--N 1.281 -2.375 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.999 -177.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.605 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 44.5 t -70.91 139.18 50.64 Favored 'General case' 0 CA--C 1.484 -1.565 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -111.7 12.43 21.1 Favored 'General case' 0 C--N 1.275 -2.673 0 CA-C-O 122.698 1.237 . . . . 0.0 108.772 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.605 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 16.3 m120 -98.87 -41.4 7.64 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 113.165 -1.834 . . . . 0.0 109.255 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.558 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.4 p -120.99 -2.89 9.65 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 120.949 0.404 . . . . 0.0 111.031 172.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.02 33.42 59.6 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.835 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.558 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 21.9 tpt180 -118.63 144.52 46.09 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 122.611 -0.346 . . . . 0.0 111.134 -174.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -79.48 103.7 9.58 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 125.468 1.507 . . . . 0.0 108.595 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 t -132.2 149.86 32.92 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.211 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.494 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.1 m -50.76 124.69 11.55 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.756 1.222 . . . . 0.0 111.311 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.76 -37.82 83.11 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 123.418 0.687 . . . . 0.0 110.744 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -66.87 -24.63 66.15 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.328 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -112.62 6.98 18.6 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -173.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -64.82 -36.36 84.07 Favored 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 -172.225 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.12 -54.47 44.68 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.67 84.73 Favored 'General case' 0 C--O 1.257 1.488 0 CA-C-O 122.048 0.927 . . . . 0.0 109.08 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -59.85 -45.97 90.75 Favored 'General case' 0 C--O 1.18 -2.57 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.906 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.438 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -63.9 -31.0 72.03 Favored 'General case' 0 CA--C 1.497 -1.085 0 C-N-CA 122.825 0.45 . . . . 0.0 110.824 -178.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -62.72 -48.64 78.33 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -69.08 -30.37 68.66 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.508 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.7 t -74.45 -49.29 22.93 Favored 'General case' 0 C--N 1.295 -1.798 0 C-N-CA 123.598 0.759 . . . . 0.0 110.716 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--N 1.328 -0.364 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 -172.235 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 . . . . . 0 CA--C 1.495 -1.16 0 CA-C-O 120.876 0.37 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 tp -143.25 160.18 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.196 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -69.45 114.6 7.83 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.093 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.85 129.57 38.95 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 104.982 -2.229 . . . . 0.0 104.982 169.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -82.78 -18.23 41.36 Favored 'General case' 0 C--N 1.259 -3.333 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -175.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.598 ' ND2' HD12 ' A' ' 28' ' ' LEU . 68.0 m-20 -89.28 -37.77 14.7 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.757 -1.565 . . . . 0.0 114.581 -171.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 21.5 p -115.76 0.31 13.15 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 118.835 -1.146 . . . . 0.0 110.773 170.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.01 35.14 88.89 Favored Glycine 0 CA--C 1.5 -0.85 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.814 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 42.9 ttm180 -119.61 146.12 45.82 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 120.483 -0.487 . . . . 0.0 112.043 -172.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -76.12 102.24 5.65 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 125.3 1.44 . . . . 0.0 107.687 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.3 t -134.84 155.23 38.04 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.672 -176.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.509 ' HB3' ' HB2' ' A' ' 23' ' ' ARG . 37.3 t -58.29 132.55 53.97 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 120.936 0.398 . . . . 0.0 111.916 -178.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.85 -30.18 68.65 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 124.153 0.981 . . . . 0.0 109.173 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -74.27 -25.55 59.68 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.611 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.509 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 62.7 mtp180 -111.13 8.14 21.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.291 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.405 ' CD1' HD22 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.73 -37.88 85.56 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 122.701 0.4 . . . . 0.0 111.608 -171.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.9 -51.78 65.64 Favored 'General case' 0 C--O 1.259 1.602 0 CA-C-O 121.019 0.438 . . . . 0.0 111.783 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.33 -36.83 85.42 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-O 121.974 0.892 . . . . 0.0 108.721 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -60.94 -42.61 98.53 Favored 'General case' 0 C--O 1.186 -2.271 0 CA-C-N 114.134 -1.393 . . . . 0.0 109.946 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.598 HD12 ' ND2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -66.17 -31.79 72.84 Favored 'General case' 0 CA--C 1.479 -1.759 0 CA-C-N 117.728 0.24 . . . . 0.0 110.875 -178.657 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -64.35 -43.03 95.84 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.432 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -69.29 -39.8 78.1 Favored 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.9 t -65.16 -61.73 1.96 Allowed 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 125.915 1.686 . . . . 0.0 110.937 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 mt . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 115.969 1.841 . . . . 0.0 115.969 -172.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 . . . . . 0 N--CA 1.439 -1.019 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.18 166.47 26.73 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -77.54 117.72 19.26 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-O 121.178 0.513 . . . . 0.0 112.379 -173.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 53.5 t -77.58 137.41 38.57 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 173.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -93.29 -15.49 25.75 Favored 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.623 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 17.4 m120 -75.49 -43.71 47.74 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 113.838 -1.528 . . . . 0.0 111.675 -171.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.523 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 24.2 p -117.07 2.26 12.65 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.245 171.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 65.79 35.28 90.71 Favored Glycine 0 C--N 1.338 0.644 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.311 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.523 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 14.3 ttp180 -120.8 149.64 42.25 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -174.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -79.18 102.86 8.74 Favored 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 125.375 1.47 . . . . 0.0 107.407 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -124.01 145.01 31.81 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.383 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.756 -174.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.449 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 75.6 m -45.29 122.99 3.74 Favored 'General case' 0 C--O 1.214 -0.773 0 C-N-CA 125.896 1.678 . . . . 0.0 111.851 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.65 -46.62 77.44 Favored 'General case' 0 CA--C 1.5 -0.959 0 C-N-CA 124.326 1.05 . . . . 0.0 111.565 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.74 -23.04 62.36 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 122.012 0.91 . . . . 0.0 110.251 -177.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 15.0 tpp180 -99.3 -11.99 20.74 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.132 -173.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 24.8 tp -65.13 -19.97 66.24 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -173.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.75 -64.4 0.87 Allowed 'General case' 0 C--O 1.242 0.692 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 175.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.24 73.52 Favored 'General case' 0 C--O 1.251 1.18 0 CA-C-O 122.12 0.962 . . . . 0.0 109.607 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.462 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 76.6 t60 -58.7 -47.39 84.7 Favored 'General case' 0 C--O 1.191 -1.985 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.297 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -37.83 88.36 Favored 'General case' 0 CA--C 1.486 -1.484 0 O-C-N 123.557 0.536 . . . . 0.0 110.855 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.79 -40.46 88.39 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.884 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -75.77 -44.14 42.98 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.056 0.455 . . . . 0.0 110.895 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.0 t -61.62 -30.19 70.54 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 124.804 1.242 . . . . 0.0 111.523 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.725 0 O-C-N 122.161 -0.337 . . . . 0.0 110.618 -177.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 CA--C 1.499 -1.014 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 tp -113.09 152.18 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.703 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -81.08 123.16 28.16 Favored 'General case' 0 N--CA 1.424 -1.725 0 C-N-CA 118.53 -1.268 . . . . 0.0 108.545 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.48 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 39.9 t -71.3 141.87 50.48 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -87.15 -17.43 32.76 Favored 'General case' 0 C--N 1.278 -2.53 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.559 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 3.2 t30 -85.64 -41.58 15.08 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.855 -169.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.1 p -118.81 4.86 11.5 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.607 174.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.48 ' HA2' ' O ' ' A' ' 12' ' ' CYS . . . 61.47 35.56 91.24 Favored Glycine 0 N--CA 1.479 1.556 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.882 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 -121.12 148.88 43.6 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -171.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -75.39 97.78 3.72 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.075 1.75 . . . . 0.0 109.556 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 t -129.66 145.8 35.14 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.587 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 6.2 m -46.79 128.34 10.7 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.598 1.159 . . . . 0.0 111.633 -175.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.4 -42.12 77.42 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 124.936 1.294 . . . . 0.0 111.321 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -70.1 -25.41 63.49 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.598 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.419 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 24.7 mmt180 -99.76 -3.96 31.67 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.649 -172.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.1 tm? -59.84 -37.92 80.61 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 123.133 0.271 . . . . 0.0 110.375 -174.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.46 -62.18 1.97 Allowed 'General case' 0 C--N 1.315 -0.919 0 O-C-N 123.277 0.361 . . . . 0.0 111.916 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.57 79.22 Favored 'General case' 0 C--O 1.251 1.173 0 CA-C-O 121.995 0.902 . . . . 0.0 109.496 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -58.03 -45.0 87.66 Favored 'General case' 0 C--O 1.181 -2.506 0 CA-C-N 114.156 -1.384 . . . . 0.0 109.247 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -67.21 -36.24 81.29 Favored 'General case' 0 CA--C 1.48 -1.739 0 O-C-N 123.355 0.409 . . . . 0.0 110.901 -177.747 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -60.71 -41.0 94.36 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 119.137 -1.025 . . . . 0.0 110.11 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 ttp-105 -74.32 -44.99 50.21 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.552 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 14' ' ' ASN . 25.1 t -57.43 -40.75 79.03 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 125.284 1.434 . . . . 0.0 110.342 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.437 -1.088 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.358 -174.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 35.0 m-85 . . . . . 0 N--CA 1.428 -1.563 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.4 tp -124.89 154.08 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.768 0 N-CA-C 105.267 -2.123 . . . . 0.0 105.267 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -86.27 124.62 32.84 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 117.203 -1.799 . . . . 0.0 109.541 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 42.3 t -70.87 130.08 40.71 Favored 'General case' 0 CA--C 1.472 -2.044 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -99.97 8.17 44.25 Favored 'General case' 0 C--N 1.262 -3.197 0 CA-C-O 122.072 0.939 . . . . 0.0 110.188 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.417 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 16.3 m-80 -96.01 -16.91 21.36 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.215 -1.357 . . . . 0.0 111.192 176.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.567 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 27.2 p -146.32 -3.1 0.66 Allowed 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.786 0.327 . . . . 0.0 111.761 173.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.46 41.18 67.35 Favored Glycine 0 CA--C 1.506 -0.524 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.892 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.567 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 57.7 ttt180 -120.94 136.96 54.83 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.85 110.19 10.09 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 124.478 1.111 . . . . 0.0 108.813 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.7 t -137.53 141.95 38.02 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.542 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.071 -177.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.488 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 20.1 m -48.16 127.4 12.5 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.812 0.845 . . . . 0.0 110.468 176.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.54 -32.29 62.83 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.706 0.802 . . . . 0.0 111.054 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -76.4 -23.36 54.04 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.699 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -96.13 -10.37 28.41 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -175.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -38.59 79.16 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.491 -172.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.42 -58.41 7.57 Favored 'General case' 0 C--O 1.249 1.054 0 C-N-CA 122.727 0.411 . . . . 0.0 111.718 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.28 91.87 Favored 'General case' 0 C--O 1.262 1.711 0 CA-C-O 121.855 0.836 . . . . 0.0 109.279 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -58.05 -45.39 87.11 Favored 'General case' 0 C--O 1.201 -1.477 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.885 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.71 -30.36 69.0 Favored 'General case' 0 C--O 1.193 -1.916 0 O-C-N 123.311 0.382 . . . . 0.0 110.833 -177.1 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -63.64 -41.38 98.26 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.672 174.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -71.72 -41.22 68.8 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.623 0.725 . . . . 0.0 109.331 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -68.63 -24.25 64.53 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 125.001 1.32 . . . . 0.0 111.531 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -177.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 91.3 m-85 . . . . . 0 N--CA 1.423 -1.795 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.9 tp -118.46 148.0 21.6 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.065 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -75.28 115.26 14.73 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 51.5 t -71.54 134.63 46.61 Favored 'General case' 0 N--CA 1.413 -2.294 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 176.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -97.58 -8.2 29.54 Favored 'General case' 0 C--N 1.26 -3.323 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -178.155 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.6 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 23.3 m-80 -82.25 -38.54 24.32 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 113.578 -1.647 . . . . 0.0 111.499 -177.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.516 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.8 p -126.31 -0.96 6.99 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.423 173.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.74 37.22 76.06 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.503 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.516 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 6.6 ttp180 -121.39 152.94 38.45 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -176.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -86.19 101.48 13.05 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 125.108 1.363 . . . . 0.0 108.888 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -129.93 145.77 35.15 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.019 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.727 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 45.6 m -58.3 130.3 46.07 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 123.474 0.71 . . . . 0.0 111.107 -177.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.72 -25.14 66.22 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 123.451 0.7 . . . . 0.0 110.677 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -77.06 -17.47 58.73 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.66 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -116.23 -2.09 12.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.814 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -59.01 -39.31 81.5 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.776 -170.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -59.23 -55.27 37.06 Favored 'General case' 0 C--O 1.248 0.974 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.6 -36.98 83.93 Favored 'General case' 0 C--O 1.276 2.463 0 CA-C-O 121.852 0.834 . . . . 0.0 109.55 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -55.52 -49.56 72.28 Favored 'General case' 0 C--O 1.199 -1.568 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.106 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.46 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -64.47 -33.32 75.61 Favored 'General case' 0 CA--C 1.493 -1.226 0 O-C-N 123.708 0.63 . . . . 0.0 110.918 -177.664 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 30.3 mm-40 -59.11 -45.3 91.25 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -74.38 -43.77 55.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.439 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.46 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 32.0 t -53.53 -46.45 70.16 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 125.075 1.35 . . . . 0.0 110.802 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.442 -0.831 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.31 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 75.3 m-85 . . . . . 0 N--CA 1.434 -1.268 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 tp -144.48 150.38 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.331 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -71.98 130.17 40.34 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 118.441 -1.304 . . . . 0.0 109.739 176.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 38.3 t -71.67 138.58 48.73 Favored 'General case' 0 N--CA 1.416 -2.16 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 175.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -86.31 -14.36 43.86 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.567 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 31.7 m-80 -84.2 -49.99 8.3 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.434 -1.257 . . . . 0.0 112.589 -175.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.5 p -114.82 8.73 16.11 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.457 175.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.41 33.08 85.19 Favored Glycine 0 N--CA 1.468 0.808 0 C-N-CA 121.583 -0.341 . . . . 0.0 112.572 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.481 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 11.1 ttp180 -120.44 133.05 55.48 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -172.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.92 104.62 0.72 Allowed 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 125.427 1.491 . . . . 0.0 109.683 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -134.77 151.3 31.14 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.851 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.2 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 44.1 t -56.91 130.45 45.94 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 120.911 0.386 . . . . 0.0 110.563 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.47 -12.82 61.96 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.62 0.724 . . . . 0.0 110.431 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -93.35 -9.91 37.16 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.869 0.842 . . . . 0.0 109.634 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -115.0 -6.19 12.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.236 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.35 -37.91 76.13 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 124.106 0.962 . . . . 0.0 112.609 -170.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.21 -58.57 6.76 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.08 75.38 Favored 'General case' 0 C--O 1.272 2.256 0 CA-C-O 122.19 0.995 . . . . 0.0 109.233 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -58.37 -46.66 85.89 Favored 'General case' 0 C--O 1.187 -2.193 0 CA-C-N 113.779 -1.555 . . . . 0.0 108.997 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -38.14 86.66 Favored 'General case' 0 CA--C 1.482 -1.669 0 O-C-N 123.622 0.576 . . . . 0.0 110.846 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.33 -40.81 95.59 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 119.162 -1.015 . . . . 0.0 110.747 175.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -73.55 -40.48 63.93 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.1 t -62.7 -39.55 94.35 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 125.801 1.641 . . . . 0.0 110.508 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.439 -1.014 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -178.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 . . . . . 0 N--CA 1.414 -2.264 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.5 tp -112.49 154.67 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.927 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -76.29 115.3 15.89 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.302 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -79.65 129.63 34.65 Favored 'General case' 0 N--CA 1.414 -2.244 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 172.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -13.0 28.97 Favored 'General case' 0 C--N 1.268 -2.943 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.619 ' ND2' HD11 ' A' ' 28' ' ' LEU . 50.4 m-20 -75.34 -37.47 60.67 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 114.032 -1.44 . . . . 0.0 113.016 -175.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.553 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.2 p -123.88 0.03 8.54 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.637 170.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.09 41.04 92.97 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.958 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.553 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 79.2 ttt180 -120.71 153.5 36.87 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -174.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -99.34 99.01 9.89 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -175.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.3 t -125.65 146.79 30.79 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.172 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 -171.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -49.43 122.16 5.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.547 1.139 . . . . 0.0 110.534 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.32 -30.27 59.89 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.172 0.989 . . . . 0.0 112.546 -175.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -80.14 -18.09 50.74 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.39 0.614 . . . . 0.0 111.057 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -108.28 2.0 22.36 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.602 -177.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -65.13 -36.02 82.95 Favored 'General case' 0 C--O 1.205 -1.286 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.371 -174.418 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -53.12 -61.68 2.14 Favored 'General case' 0 C--O 1.251 1.135 0 C-N-CA 122.901 0.48 . . . . 0.0 112.231 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.21 -35.07 79.47 Favored 'General case' 0 C--O 1.25 1.129 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -54.03 -52.12 61.85 Favored 'General case' 0 C--O 1.196 -1.738 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.309 174.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.619 HD11 ' ND2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -63.74 -34.56 78.15 Favored 'General case' 0 CA--C 1.482 -1.658 0 O-C-N 123.75 0.656 . . . . 0.0 110.964 -177.088 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 22.9 mm-40 -59.95 -46.34 89.72 Favored 'General case' 0 C--O 1.203 -1.371 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.05 178.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -74.7 -41.84 59.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.9 0.381 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 37.2 t -51.98 -53.95 35.5 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 125.284 1.434 . . . . 0.0 110.33 177.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 N--CA 1.44 -0.925 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.535 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 . . . . . 0 N--CA 1.429 -1.475 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 tp -130.13 154.87 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.393 -3.312 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -71.85 120.39 17.38 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.87 128.09 34.83 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 175.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -83.22 -5.91 59.29 Favored 'General case' 0 C--N 1.277 -2.568 0 O-C-N 123.743 0.652 . . . . 0.0 109.646 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -93.08 -57.04 2.75 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.668 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.579 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 28.3 p -103.87 1.7 31.75 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.998 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.54 37.6 89.82 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.524 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.579 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 25.1 ttp180 -121.37 140.27 52.34 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -78.95 103.06 8.64 Favored 'General case' 0 CA--C 1.498 -1.026 0 C-N-CA 124.442 1.097 . . . . 0.0 108.529 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.411 ' CG2' ' HG2' ' A' ' 17' ' ' ARG . 43.8 t -132.42 149.56 32.41 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.364 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.874 -176.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -49.77 119.94 3.9 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.618 0.767 . . . . 0.0 111.911 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.02 73.11 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 124.864 1.266 . . . . 0.0 110.778 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -62.29 -26.72 68.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.95 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.22 15.7 15.92 Favored 'General case' 0 N--CA 1.428 -1.553 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.43 -174.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.5 -36.44 82.72 Favored 'General case' 0 C--O 1.198 -1.615 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -174.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.48 -48.72 78.38 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 120.666 0.269 . . . . 0.0 111.362 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.5 -42.23 95.97 Favored 'General case' 0 C--O 1.25 1.093 0 CA-C-O 121.984 0.897 . . . . 0.0 108.813 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -60.32 -43.43 96.4 Favored 'General case' 0 C--O 1.174 -2.9 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.822 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -67.5 -31.85 72.25 Favored 'General case' 0 CA--C 1.482 -1.647 0 CA-C-N 117.952 0.342 . . . . 0.0 111.152 -177.793 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -67.12 -37.44 83.88 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 119.019 -1.072 . . . . 0.0 109.615 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -70.44 -45.83 65.06 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 176.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 29.7 t -60.43 -42.07 95.33 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 126.408 1.883 . . . . 0.0 110.647 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.429 -1.504 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.719 -175.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 . . . . . 0 CA--C 1.499 -1.0 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.9 tp -136.3 152.71 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.171 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -80.38 114.55 19.36 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.512 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 50.4 t -71.62 135.2 46.84 Favored 'General case' 0 N--CA 1.42 -1.944 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 177.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -92.4 -12.33 32.52 Favored 'General case' 0 C--N 1.269 -2.904 0 CA-C-O 122.116 0.96 . . . . 0.0 108.508 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.512 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 19.8 m120 -87.64 -14.29 40.38 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.107 -1.406 . . . . 0.0 112.136 -173.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.3 p -147.37 2.32 0.74 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 171.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 63.45 36.86 93.94 Favored Glycine 0 C--O 1.22 -0.761 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.694 -177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 20.3 tpp180 -119.96 147.38 44.84 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 -174.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -84.36 105.84 15.5 Favored 'General case' 0 CA--C 1.488 -1.41 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 51.4 t -129.0 149.68 33.92 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.19 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.355 -174.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 m -53.35 126.98 23.11 Favored 'General case' 0 N--CA 1.428 -1.568 0 C-N-CA 123.746 0.818 . . . . 0.0 111.323 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.65 88.04 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 124.666 1.186 . . . . 0.0 110.996 -177.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -62.97 -26.88 69.05 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.828 0.823 . . . . 0.0 110.684 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -98.31 -6.7 30.39 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.409 -174.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -58.1 -39.23 78.11 Favored 'General case' 0 C--O 1.206 -1.197 0 O-C-N 123.353 0.408 . . . . 0.0 111.487 -172.11 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.06 -58.88 6.03 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-O 121.029 0.442 . . . . 0.0 111.771 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.9 83.3 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-O 121.837 0.827 . . . . 0.0 109.396 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -57.65 -44.59 85.75 Favored 'General case' 0 C--O 1.187 -2.195 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.422 175.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.19 -34.83 78.35 Favored 'General case' 0 CA--C 1.477 -1.85 0 O-C-N 123.401 0.438 . . . . 0.0 110.591 -177.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -59.81 -43.48 94.49 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -72.31 -45.22 60.93 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.477 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.4 t -58.16 -44.37 87.89 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.474 1.51 . . . . 0.0 110.695 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.688 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -176.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.6 OUTLIER . . . . . 0 CA--C 1.5 -0.974 0 CA-C-O 120.921 0.391 . . . . 0.0 110.103 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.8 tp -126.42 160.29 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.911 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -80.03 115.42 19.59 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.621 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 53.8 t -71.49 133.73 46.05 Favored 'General case' 0 N--CA 1.421 -1.878 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 175.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.02 2.03 45.89 Favored 'General case' 0 C--N 1.27 -2.851 0 CA-C-O 122.472 1.13 . . . . 0.0 108.98 -176.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.621 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 35.5 m-80 -93.22 -56.15 3.06 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.838 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -103.41 -6.47 21.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.463 174.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.61 35.71 50.66 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.715 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -120.94 152.24 38.74 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.835 -175.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.75 104.13 11.92 Favored 'General case' 0 CA--C 1.495 -1.146 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.1 t -129.88 144.94 36.53 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.877 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.536 -175.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.451 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 47.5 t -53.54 131.63 38.85 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.459 0.704 . . . . 0.0 110.651 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.21 -30.22 68.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.637 0.732 . . . . 0.0 109.854 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -71.34 -27.06 63.1 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.601 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -93.18 -27.19 17.04 Favored 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.009 -176.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.64 -43.98 6.1 Favored 'General case' 0 C--O 1.196 -1.712 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -173.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.56 -59.38 5.54 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-O 121.084 0.469 . . . . 0.0 111.821 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.78 78.98 Favored 'General case' 0 C--O 1.257 1.458 0 CA-C-O 122.355 1.074 . . . . 0.0 109.494 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -60.88 -43.02 99.01 Favored 'General case' 0 C--O 1.188 -2.166 0 CA-C-N 114.264 -1.334 . . . . 0.0 110.028 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.51 -35.31 80.53 Favored 'General case' 0 CA--C 1.475 -1.907 0 CA-C-N 117.92 0.327 . . . . 0.0 110.469 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -57.67 -45.81 85.09 Favored 'General case' 0 N--CA 1.444 -0.755 0 O-C-N 123.999 0.812 . . . . 0.0 108.86 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -72.04 -45.77 59.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.103 0.478 . . . . 0.0 110.247 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.2 t -57.39 -43.92 84.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.094 1.357 . . . . 0.0 110.099 -177.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.8 mt . . . . . 0 C--O 1.235 0.327 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.728 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 CA--C 1.5 -0.945 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 tp -139.5 155.44 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.643 0 N-CA-C 105.901 -1.889 . . . . 0.0 105.901 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -79.63 128.57 33.56 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 117.998 -1.481 . . . . 0.0 109.94 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 41.7 t -71.95 130.28 40.6 Favored 'General case' 0 N--CA 1.407 -2.607 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 173.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -92.26 -0.05 57.43 Favored 'General case' 0 C--N 1.263 -3.194 0 CA-C-O 121.671 0.748 . . . . 0.0 109.412 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.61 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 16.4 m120 -93.55 -57.2 2.65 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.772 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 p -97.93 -14.26 20.74 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 120.201 -0.599 . . . . 0.0 111.528 174.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.87 38.05 17.3 Favored Glycine 0 CA--C 1.505 -0.555 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.561 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -121.33 140.91 51.47 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -75.3 104.34 5.83 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 177.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.0 t -128.83 153.64 38.66 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.649 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.343 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m -56.42 123.84 16.08 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 123.692 0.797 . . . . 0.0 111.065 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.78 -36.48 72.21 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 124.717 1.207 . . . . 0.0 112.254 -175.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -75.31 -19.41 59.67 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.589 0.709 . . . . 0.0 110.671 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -106.87 3.66 26.54 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.485 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.426 ' CD1' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -66.78 -35.34 79.85 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.141 -173.367 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.92 -55.88 28.66 Favored 'General case' 0 C--O 1.254 1.321 0 C-N-CA 122.533 0.333 . . . . 0.0 111.84 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.1 93.42 Favored 'General case' 0 C--O 1.258 1.525 0 CA-C-O 122.133 0.968 . . . . 0.0 108.947 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -57.88 -44.62 86.8 Favored 'General case' 0 C--O 1.19 -2.045 0 CA-C-N 113.801 -1.545 . . . . 0.0 109.499 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -64.05 -35.94 82.36 Favored 'General case' 0 CA--C 1.475 -1.925 0 O-C-N 123.096 0.248 . . . . 0.0 111.135 -179.286 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -62.22 -40.09 94.97 Favored 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.389 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -72.41 -43.01 64.48 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.784 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 t -59.58 -45.69 91.12 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 125.504 1.522 . . . . 0.0 109.654 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.546 0.796 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.857 -177.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 N--CA 1.431 -1.391 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.5 tp -126.27 154.83 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.555 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -76.74 110.16 11.1 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.035 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 48.3 t -71.52 136.22 47.44 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 175.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -101.62 0.69 36.71 Favored 'General case' 0 C--N 1.279 -2.483 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.55 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 14.4 m120 -89.13 -39.14 13.8 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.147 -177.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.1 p -121.93 0.31 9.69 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.02 0.438 . . . . 0.0 110.211 172.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.91 37.01 91.9 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.171 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 1.6 tpm_? -119.92 143.17 48.12 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -174.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -79.82 101.79 8.71 Favored 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.3 t -128.26 149.23 32.93 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.466 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.591 -175.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 m -45.5 119.12 2.0 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.589 1.155 . . . . 0.0 111.834 -176.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.61 -48.79 71.78 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 126.035 1.734 . . . . 0.0 112.451 -173.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -73.81 -14.28 61.07 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.382 -175.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -114.56 9.61 16.65 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-O 121.626 0.727 . . . . 0.0 109.598 -175.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.3 tm? -62.81 -34.21 76.83 Favored 'General case' 0 C--O 1.206 -1.201 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.876 -175.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.56 -58.77 5.97 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.53 0.732 . . . . 0.0 112.287 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.91 89.22 Favored 'General case' 0 C--O 1.286 3.013 0 CA-C-O 122.215 1.007 . . . . 0.0 109.507 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -56.48 -47.1 79.95 Favored 'General case' 0 C--O 1.192 -1.947 0 CA-C-N 113.601 -1.636 . . . . 0.0 109.293 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.453 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -64.95 -35.92 82.74 Favored 'General case' 0 CA--C 1.478 -1.799 0 O-C-N 123.699 0.624 . . . . 0.0 111.24 -177.405 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -57.65 -44.98 86.06 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 123.577 0.548 . . . . 0.0 109.603 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -77.04 -38.07 53.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.999 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.453 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 45.7 t -60.56 -40.2 90.76 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 124.775 1.23 . . . . 0.0 110.742 178.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.432 -1.359 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.195 -177.091 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.428 -1.571 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.404 HG21 HD21 ' A' ' 24' ' ' LEU . 10.3 tp -126.45 153.3 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.087 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -75.71 127.12 32.36 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.738 -0.785 . . . . 0.0 110.505 -178.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 46.5 t -75.02 125.92 29.92 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 170.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -92.3 4.85 52.48 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-O 121.972 0.891 . . . . 0.0 109.472 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.61 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 34.5 m-80 -93.59 -36.43 12.39 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.911 179.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.8 p -131.2 11.92 5.04 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.239 175.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 57.96 43.02 95.14 Favored Glycine 0 C--N 1.348 1.234 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.479 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 78.0 ttt180 -121.16 139.6 53.14 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 115.492 -0.354 . . . . 0.0 111.895 -172.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -84.34 104.1 14.08 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 123.871 0.869 . . . . 0.0 108.933 -176.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.7 t -129.65 144.13 39.02 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.595 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.505 -176.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 t -45.98 130.76 9.87 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 124.37 1.068 . . . . 0.0 109.485 174.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.26 -25.35 67.79 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.372 0.606 . . . . 0.0 110.164 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -72.4 -39.24 68.1 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.274 178.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -88.24 -24.14 23.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.781 -174.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.456 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 37.7 tp -58.67 -22.53 57.2 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -173.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -65.41 -60.81 2.56 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-O 121.028 0.442 . . . . 0.0 110.978 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.66 -33.3 75.35 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-O 121.926 0.869 . . . . 0.0 108.87 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.456 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 60.8 t60 -59.11 -45.88 89.75 Favored 'General case' 0 C--O 1.196 -1.738 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.58 175.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.555 HD12 ' ND2' ' A' ' 14' ' ' ASN . 0.7 OUTLIER -62.92 -37.47 87.12 Favored 'General case' 0 CA--C 1.471 -2.091 0 CA-C-N 117.936 0.335 . . . . 0.0 110.865 178.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 26.8 mm-40 -58.25 -42.62 86.81 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 123.768 0.668 . . . . 0.0 109.753 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -79.61 -42.36 25.08 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.525 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.0 t -54.26 -44.16 71.58 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.487 1.115 . . . . 0.0 110.028 177.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 N--CA 1.447 -0.576 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.873 178.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 . . . . . 0 N--CA 1.433 -1.306 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 tp -130.25 159.93 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.068 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -87.38 117.11 25.93 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.647 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 42.6 t -73.26 127.77 33.57 Favored 'General case' 0 N--CA 1.424 -1.759 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 175.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -85.43 -15.56 42.59 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.546 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 29.8 m-80 -84.4 -22.81 30.31 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 113.906 -1.497 . . . . 0.0 113.183 -172.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 24.9 p -140.69 1.25 1.7 Allowed 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.326 173.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.84 42.94 96.77 Favored Glycine 0 C--O 1.219 -0.794 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -176.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.482 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 77.9 ttt180 -121.51 149.89 42.42 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 120.196 -0.602 . . . . 0.0 111.817 -174.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -86.56 106.88 17.85 Favored 'General case' 0 CA--C 1.488 -1.411 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.3 t -132.14 143.19 40.8 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.799 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.422 -176.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 m -46.36 121.42 3.38 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 124.273 1.029 . . . . 0.0 111.227 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.23 -38.43 79.97 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 124.548 1.139 . . . . 0.0 112.157 -175.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -67.0 -22.08 65.92 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.405 0.621 . . . . 0.0 111.494 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 ttp85 -112.73 11.85 19.53 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.14 -175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.412 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.4 tm? -68.3 -41.69 80.53 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 121.831 -0.543 . . . . 0.0 111.31 -174.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -62.52 -44.07 97.26 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 111.516 0.191 . . . . 0.0 111.516 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.83 -40.62 88.03 Favored 'General case' 0 C--O 1.261 1.695 0 CA-C-O 122.278 1.037 . . . . 0.0 108.7 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -59.92 -41.64 92.18 Favored 'General case' 0 C--O 1.191 -2.001 0 CA-C-N 114.104 -1.407 . . . . 0.0 109.657 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -65.91 -32.01 73.28 Favored 'General case' 0 CA--C 1.486 -1.484 0 C-N-CA 122.547 0.339 . . . . 0.0 110.924 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 25.7 mm-40 -62.55 -45.71 91.68 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 174.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -67.32 -42.7 83.19 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.994 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.5 t -61.94 -40.79 96.72 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 124.521 1.128 . . . . 0.0 110.059 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.934 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.473 ' HB2' ' HZ2' ' A' ' 2' ' ' LYS . 0.1 OUTLIER -157.37 -50.92 0.07 Allowed 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 178.273 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -86.38 -0.7 56.5 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.473 0.654 . . . . 0.0 111.266 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -81.36 96.55 7.37 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.083 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -74.72 139.39 43.4 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 m -84.1 83.05 8.1 Favored 'General case' 0 N--CA 1.418 -2.072 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.6 m -74.11 -31.47 62.8 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.196 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 57.07 103.03 0.02 OUTLIER 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 125.627 1.571 . . . . 0.0 112.127 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -86.9 123.89 32.52 Favored 'General case' 0 C--N 1.282 -2.347 0 C-N-CA 118.068 -1.453 . . . . 0.0 109.876 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.5 pt -120.66 167.78 13.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -83.08 112.8 20.13 Favored 'General case' 0 C--N 1.276 -2.624 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.14 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 43.2 t -72.27 138.24 47.3 Favored 'General case' 0 N--CA 1.421 -1.915 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 174.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.94 -9.94 29.95 Favored 'General case' 0 C--N 1.271 -2.829 0 CA-C-O 122.069 0.938 . . . . 0.0 108.524 -177.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.427 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 15.7 m-80 -84.92 -37.38 20.62 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 114.46 -1.245 . . . . 0.0 112.529 -176.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.5 p -124.6 -3.68 7.79 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.177 0.513 . . . . 0.0 110.898 173.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.17 36.58 60.14 Favored Glycine 0 C--O 1.222 -0.622 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.193 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.571 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 7.9 tpt180 -119.38 144.67 46.77 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -175.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.73 102.13 1.46 Allowed 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 126.848 2.059 . . . . 0.0 108.146 172.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.441 HG11 ' CG ' ' A' ' 27' ' ' HIS . 49.1 t -133.15 151.33 33.8 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.842 -177.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m -61.81 126.61 27.97 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.67 -24.88 67.97 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 124.271 1.028 . . . . 0.0 109.219 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -78.4 -7.83 57.8 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.297 -1.32 . . . . 0.0 110.374 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -131.7 8.25 4.51 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.979 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.418 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -65.34 -37.31 86.67 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.044 -170.496 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.29 -50.19 66.66 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.36 94.11 Favored 'General case' 0 C--O 1.272 2.276 0 CA-C-O 122.721 1.248 . . . . 0.0 108.716 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.441 ' CG ' HG11 ' A' ' 19' ' ' VAL . 67.7 t60 -58.44 -44.73 89.27 Favored 'General case' 0 C--O 1.187 -2.185 0 CA-C-N 113.235 -1.802 . . . . 0.0 109.086 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.426 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -63.55 -35.29 80.01 Favored 'General case' 0 CA--C 1.483 -1.605 0 O-C-N 123.472 0.483 . . . . 0.0 111.331 -178.662 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -48.28 81.11 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 174.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -69.31 -41.6 76.53 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.127 0.489 . . . . 0.0 110.027 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 33.6 t -62.21 -48.13 81.39 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 125.057 1.343 . . . . 0.0 111.371 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -74.02 -34.68 64.23 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 -176.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -61.58 -46.43 89.92 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -76.26 -36.12 58.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.983 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.89 48.89 4.14 Favored Glycine 0 N--CA 1.436 -1.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 113.59 -176.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.11 92.1 7.82 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 174.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -89.56 137.47 32.3 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.672 -174.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 . . . . . 0 C--N 1.292 -1.925 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.617 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -86.26 110.57 19.72 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 66.99 -169.4 0.2 Allowed 'General case' 0 C--O 1.244 0.772 0 O-C-N 124.667 1.229 . . . . 0.0 111.611 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -85.49 160.58 19.66 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.97 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 72.08 -47.19 0.66 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.047 1.739 . . . . 0.0 112.531 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 t -62.58 111.23 1.98 Allowed 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 123.798 0.839 . . . . 0.0 110.662 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.5 t 68.32 16.61 9.28 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.246 1.418 . . . . 0.0 110.819 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -100.16 0.22 40.13 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -87.13 138.86 31.13 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 119.304 -0.958 . . . . 0.0 110.772 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.03 166.76 27.8 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 108.264 -1.014 . . . . 0.0 108.264 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -73.07 114.81 11.65 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.309 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.46 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 50.4 t -71.18 129.59 39.31 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 174.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -87.52 -6.8 58.2 Favored 'General case' 0 C--N 1.269 -2.901 0 CA-C-O 122.294 1.045 . . . . 0.0 108.521 -176.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.46 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 39.8 m-80 -98.13 -16.75 19.4 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.072 -1.422 . . . . 0.0 113.413 -175.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.511 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.5 p -148.1 2.29 0.67 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.677 173.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.85 35.94 90.36 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.405 -178.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.511 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 74.2 ttt180 -119.15 149.02 42.42 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.133 -174.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -80.88 105.05 11.81 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 124.84 1.256 . . . . 0.0 107.876 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.33 145.67 34.25 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.359 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.195 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.449 ' HB3' ' HB2' ' A' ' 23' ' ' ARG . 30.1 t -58.85 126.74 28.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.507 0.723 . . . . 0.0 109.492 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.37 70.39 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 123.832 0.853 . . . . 0.0 111.219 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -76.13 -29.02 57.67 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.378 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 1.2 mpt_? -101.58 2.38 38.89 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.924 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.45 HD13 ' O ' ' A' ' 24' ' ' LEU . 1.2 tm? -62.82 -36.18 82.35 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.222 -173.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.511 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -57.03 -54.18 49.71 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 123.401 0.438 . . . . 0.0 112.147 178.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.75 95.23 Favored 'General case' 0 C--O 1.27 2.178 0 CA-C-O 122.153 0.978 . . . . 0.0 109.111 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -59.34 -45.35 91.62 Favored 'General case' 0 C--O 1.189 -2.129 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.079 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.85 -28.69 67.76 Favored 'General case' 0 CA--C 1.488 -1.404 0 C-N-CA 122.535 0.334 . . . . 0.0 111.256 -178.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 29.8 mm-40 -63.28 -45.61 90.63 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 15.2 ttm180 -74.96 -38.71 61.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.66 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.0 t -60.02 -37.8 80.8 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 124.801 1.24 . . . . 0.0 109.914 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -103.02 -6.97 21.8 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -177.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 t -80.76 1.76 29.01 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 172.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -130.84 166.48 20.76 Favored 'General case' 0 N--CA 1.432 -1.364 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.21 -92.64 0.16 Allowed Glycine 0 N--CA 1.437 -1.3 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.515 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.38 -51.05 71.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.344 0.592 . . . . 0.0 110.099 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -162.96 -52.03 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 176.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 . . . . . 0 C--N 1.295 -1.767 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 171.703 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.051 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.59 161.69 35.17 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 117.286 0.543 . . . . 0.0 110.189 175.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -70.79 -28.39 64.62 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 123.62 0.575 . . . . 0.0 111.65 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -83.58 150.63 25.81 Favored 'General case' 0 C--O 1.253 1.24 0 CA-C-O 120.606 0.241 . . . . 0.0 111.559 177.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 78.52 13.48 1.43 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.753 1.621 . . . . 0.0 111.061 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 p -81.57 -30.99 32.82 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.544 ' HA ' ' CE2' ' A' ' 9' ' ' TYR . 22.8 t -90.44 74.68 6.86 Favored 'General case' 0 N--CA 1.409 -2.522 0 CA-C-N 114.518 -1.219 . . . . 0.0 107.781 177.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -135.1 66.49 1.52 Allowed 'General case' 0 N--CA 1.427 -1.615 0 N-CA-C 105.723 -1.954 . . . . 0.0 105.723 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.544 ' CE2' ' HA ' ' A' ' 7' ' ' SER . 81.4 m-85 -103.26 151.16 22.99 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 114.359 -1.291 . . . . 0.0 110.541 -174.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.0 tp -129.9 151.44 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.641 0 N-CA-C 105.423 -2.065 . . . . 0.0 105.423 176.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -80.49 128.7 33.89 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 118.47 -1.292 . . . . 0.0 109.604 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 51.1 t -80.48 140.99 35.63 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 174.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.15 -10.08 24.74 Favored 'General case' 0 C--N 1.274 -2.689 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.471 ' HA ' ' NH2' ' A' ' 37' ' ' ARG . 15.0 m-80 -83.06 -20.45 34.95 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 113.909 -1.496 . . . . 0.0 113.051 -177.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 37' ' ' ARG . 24.6 p -140.7 4.17 1.91 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.253 0.549 . . . . 0.0 110.549 170.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 59.91 38.59 94.33 Favored Glycine 0 CA--C 1.505 -0.573 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.053 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.413 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 18.4 tpp180 -120.65 142.52 49.37 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.728 -173.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -76.21 100.63 5.11 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 125.942 1.697 . . . . 0.0 107.807 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.84 152.88 38.02 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.415 ' HB3' ' HB2' ' A' ' 23' ' ' ARG . 39.5 t -54.92 127.66 29.79 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 122.974 0.51 . . . . 0.0 110.823 -176.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.6 -27.96 69.56 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.816 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -83.09 -20.32 35.11 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.945 0.879 . . . . 0.0 110.724 -178.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 98.4 mtt180 -107.79 4.02 25.12 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.652 -176.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.442 ' CD1' HD22 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -70.45 -37.63 74.37 Favored 'General case' 0 C--O 1.21 -1.017 0 O-C-N 123.55 0.531 . . . . 0.0 111.661 -171.405 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.58 68.36 Favored 'General case' 0 C--O 1.258 1.529 0 CA-C-O 121.393 0.616 . . . . 0.0 111.072 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.04 89.6 Favored 'General case' 0 C--O 1.251 1.153 0 CA-C-O 122.199 0.999 . . . . 0.0 108.786 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 69.3 t60 -58.68 -43.85 90.07 Favored 'General case' 0 C--O 1.179 -2.636 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.637 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.442 HD22 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -65.44 -36.14 83.02 Favored 'General case' 0 CA--C 1.481 -1.681 0 CA-C-N 117.96 0.346 . . . . 0.0 110.491 -179.101 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -59.04 -42.4 90.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -74.04 -44.43 54.35 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.827 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.9 t -57.07 -45.56 83.19 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 125.434 1.494 . . . . 0.0 109.702 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.33 -46.29 28.27 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.488 -177.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.8 t -61.54 -25.62 67.41 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -89.46 -16.39 30.95 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 122.175 -0.328 . . . . 0.0 111.7 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.94 29.01 69.59 Favored Glycine 0 C--O 1.242 0.627 0 O-C-N 123.469 0.481 . . . . 0.0 112.538 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.73 113.8 25.48 Favored 'General case' 0 N--CA 1.428 -1.572 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.471 ' NH2' ' HA ' ' A' ' 14' ' ' ASN . 65.3 mtp85 -98.26 4.39 48.79 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.743 0.782 . . . . 0.0 110.082 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 . . . . . 0 C--N 1.313 -1.013 0 C-N-CA 127.609 2.364 . . . . 0.0 104.957 173.172 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.52 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -89.59 103.07 15.75 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -159.52 39.31 0.2 Allowed 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -175.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -82.19 166.85 19.26 Favored 'General case' 0 C--O 1.25 1.11 0 CA-C-O 122.155 0.979 . . . . 0.0 112.134 -174.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.79 136.53 47.37 Favored 'General case' 0 C--N 1.277 -2.57 0 CA-C-N 114.03 -1.441 . . . . 0.0 107.972 173.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m 62.31 -162.58 0.28 Allowed 'General case' 0 CA--C 1.559 1.308 0 O-C-N 123.908 0.755 . . . . 0.0 111.95 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.4 m -144.75 -49.53 0.26 Allowed 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 122.948 0.499 . . . . 0.0 109.87 176.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -92.94 -3.11 55.09 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.236 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -116.05 150.6 37.03 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.6 tp -138.22 161.55 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.213 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -74.51 117.87 16.82 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.008 0.432 . . . . 0.0 110.97 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.566 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 51.2 t -75.6 134.06 40.76 Favored 'General case' 0 N--CA 1.429 -1.511 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 174.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -84.95 -15.74 43.34 Favored 'General case' 0 C--N 1.276 -2.603 0 CA-C-O 122.101 0.953 . . . . 0.0 109.054 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.566 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 37.4 m-80 -86.72 -43.26 12.71 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.203 -1.362 . . . . 0.0 113.486 -171.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 21.7 p -118.26 5.33 11.9 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.842 173.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.54 38.29 95.57 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.466 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 78.9 ttt180 -120.2 154.0 35.47 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.542 -171.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -82.18 98.55 8.78 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 125.473 1.509 . . . . 0.0 107.666 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.9 t -126.99 147.62 31.89 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.465 ' HB3' ' HB3' ' A' ' 23' ' ' ARG . 28.2 t -46.17 128.44 9.52 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 124.469 1.108 . . . . 0.0 111.5 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.96 93.79 Favored 'General case' 0 C--N 1.31 -1.122 0 C-N-CA 124.335 1.054 . . . . 0.0 110.177 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -72.1 -29.35 64.0 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.034 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.465 ' HB3' ' HB3' ' A' ' 20' ' ' SER . 39.5 ttm180 -101.17 -1.44 33.87 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.329 0.585 . . . . 0.0 111.786 -175.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.45 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 29.5 tp -66.22 -19.94 65.97 Favored 'General case' 0 C--O 1.209 -1.078 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -176.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.13 -51.73 20.02 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.793 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.76 -37.06 83.86 Favored 'General case' 0 C--O 1.273 2.326 0 CA-C-O 122.102 0.953 . . . . 0.0 109.137 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 61.9 t60 -57.56 -47.3 82.45 Favored 'General case' 0 C--O 1.198 -1.624 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.847 174.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -62.62 -36.68 83.54 Favored 'General case' 0 CA--C 1.479 -1.753 0 O-C-N 123.855 0.722 . . . . 0.0 110.991 -178.716 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -58.59 -43.67 89.6 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.562 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -76.44 -45.2 32.44 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.457 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 t -54.34 -42.22 69.99 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.54 1.136 . . . . 0.0 110.858 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.23 -41.74 24.56 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -177.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.3 p -64.53 -48.96 73.14 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.74 29.15 1.24 Allowed 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -173.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.02 -23.83 70.75 Favored Glycine 0 C--N 1.316 -0.532 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.468 177.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.73 79.3 1.22 Allowed 'General case' 0 C--O 1.248 1.019 0 CA-C-O 121.861 0.838 . . . . 0.0 110.735 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -111.69 -61.1 1.76 Allowed 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.421 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 1.3 mmp_? . . . . . 0 C--N 1.306 -1.3 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.871 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -117.04 143.64 45.52 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 140.58 45.89 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 175.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -111.36 140.53 45.87 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -177.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.2 -26.85 68.01 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 123.373 0.421 . . . . 0.0 111.645 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m 72.85 -46.85 0.66 Allowed 'General case' 0 C--O 1.242 0.686 0 C-N-CA 125.327 1.451 . . . . 0.0 112.145 175.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.6 m -103.92 115.84 31.19 Favored 'General case' 0 N--CA 1.419 -2.02 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 173.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -84.45 16.5 3.09 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.988 0.423 . . . . 0.0 111.009 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.559 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 6.0 m-85 -91.39 139.61 30.56 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.871 -176.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.404 HD11 ' O ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -131.55 166.23 29.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 175.158 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -70.43 122.96 20.62 Favored 'General case' 0 C--N 1.284 -2.263 0 CA-C-O 121.373 0.606 . . . . 0.0 110.21 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.11 129.7 39.13 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 172.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -81.54 -9.36 59.71 Favored 'General case' 0 C--N 1.274 -2.707 0 CA-C-O 121.667 0.746 . . . . 0.0 109.792 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -101.04 -10.06 20.85 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -172.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.7 p -149.18 6.16 0.67 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.882 0.372 . . . . 0.0 110.935 170.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.6 36.77 93.13 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.458 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.467 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 17.2 tpt180 -120.21 136.66 54.56 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -171.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.59 99.66 0.16 Allowed 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 125.995 1.718 . . . . 0.0 109.159 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.404 ' O ' HD11 ' A' ' 10' ' ' ILE . 59.1 t -135.09 137.39 50.49 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.923 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.559 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 38.7 m -48.66 132.3 17.62 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 123.907 0.883 . . . . 0.0 112.4 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.62 -30.02 66.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.765 0.793 . . . . 0.0 110.433 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -77.46 -24.61 50.23 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.151 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -100.2 -16.01 17.91 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.074 -174.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.15 -37.7 72.44 Favored 'General case' 0 C--O 1.2 -1.532 0 C-N-CA 124.724 1.21 . . . . 0.0 111.289 -173.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.61 -63.8 1.08 Allowed 'General case' 0 C--O 1.261 1.664 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.53 77.98 Favored 'General case' 0 C--O 1.261 1.661 0 CA-C-O 121.694 0.759 . . . . 0.0 109.439 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -56.38 -45.15 80.69 Favored 'General case' 0 C--O 1.193 -1.89 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.407 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -68.53 -32.71 72.86 Favored 'General case' 0 CA--C 1.476 -1.873 0 O-C-N 123.185 0.303 . . . . 0.0 111.07 -178.112 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -58.99 -43.36 91.45 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -77.7 -38.34 47.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.416 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.452 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 22.0 t -62.9 -31.31 72.34 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 124.229 1.012 . . . . 0.0 110.898 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -86.83 -46.49 9.9 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -59.49 -37.46 78.31 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.029 0.442 . . . . 0.0 110.824 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -104.08 13.5 32.39 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.049 0.452 . . . . 0.0 111.036 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.7 -55.05 2.37 Favored Glycine 0 CA--C 1.495 -1.161 0 N-CA-C 108.991 -1.644 . . . . 0.0 108.991 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.75 105.98 18.19 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 174.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -117.51 167.71 11.05 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.065 0.459 . . . . 0.0 111.126 -174.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.6 ptt85 . . . . . 0 C--N 1.294 -1.822 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 174.864 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.331 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -89.73 -24.66 21.48 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -78.06 80.0 4.5 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 122.24 1.019 . . . . 0.0 112.633 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -93.55 -23.08 18.46 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 105.578 -2.008 . . . . 0.0 105.578 169.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -95.27 57.08 1.96 Allowed 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -67.38 157.81 33.18 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.714 -174.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.1 t -80.56 83.38 6.37 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -122.87 16.45 10.13 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.564 -175.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -107.25 138.5 43.33 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.68 166.87 20.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -78.34 110.73 13.64 Favored 'General case' 0 C--N 1.281 -2.375 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.999 -177.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.605 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 44.5 t -70.91 139.18 50.64 Favored 'General case' 0 CA--C 1.484 -1.565 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -111.7 12.43 21.1 Favored 'General case' 0 C--N 1.275 -2.673 0 CA-C-O 122.698 1.237 . . . . 0.0 108.772 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.605 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 16.3 m120 -98.87 -41.4 7.64 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 113.165 -1.834 . . . . 0.0 109.255 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.558 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.4 p -120.99 -2.89 9.65 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 120.949 0.404 . . . . 0.0 111.031 172.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.02 33.42 59.6 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.835 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.558 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 21.9 tpt180 -118.63 144.52 46.09 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 122.611 -0.346 . . . . 0.0 111.134 -174.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -79.48 103.7 9.58 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 125.468 1.507 . . . . 0.0 108.595 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 t -132.2 149.86 32.92 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.211 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.494 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.1 m -50.76 124.69 11.55 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.756 1.222 . . . . 0.0 111.311 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.76 -37.82 83.11 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 123.418 0.687 . . . . 0.0 110.744 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -66.87 -24.63 66.15 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.328 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -112.62 6.98 18.6 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -173.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -64.82 -36.36 84.07 Favored 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 -172.225 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.12 -54.47 44.68 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.67 84.73 Favored 'General case' 0 C--O 1.257 1.488 0 CA-C-O 122.048 0.927 . . . . 0.0 109.08 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -59.85 -45.97 90.75 Favored 'General case' 0 C--O 1.18 -2.57 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.906 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.438 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -63.9 -31.0 72.03 Favored 'General case' 0 CA--C 1.497 -1.085 0 C-N-CA 122.825 0.45 . . . . 0.0 110.824 -178.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -62.72 -48.64 78.33 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -69.08 -30.37 68.66 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.508 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.7 t -74.45 -49.29 22.93 Favored 'General case' 0 C--N 1.295 -1.798 0 C-N-CA 123.598 0.759 . . . . 0.0 110.716 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -100.19 -7.43 24.76 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 -172.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.0 t -84.02 1.22 44.89 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.198 177.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -106.91 173.69 6.21 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.54 -32.82 6.13 Favored Glycine 0 N--CA 1.431 -1.642 0 N-CA-C 108.638 -1.785 . . . . 0.0 108.638 171.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -158.96 177.96 10.58 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -59.49 143.71 49.25 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 117.964 0.347 . . . . 0.0 110.53 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 . . . . . 0 C--N 1.306 -1.321 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 -177.543 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.391 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp 64.63 32.75 11.18 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.122 0.969 . . . . 0.0 109.854 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 69.1 -165.0 0.18 Allowed 'General case' 0 C--O 1.241 0.638 0 CA-C-N 113.833 -1.53 . . . . 0.0 108.002 -176.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -85.87 82.24 8.23 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -94.02 -67.02 0.88 Allowed 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.729 -175.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 p -149.24 84.37 1.44 Allowed 'General case' 0 N--CA 1.424 -1.767 0 CA-C-O 121.937 0.875 . . . . 0.0 111.29 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.6 t -161.2 153.36 19.96 Favored 'General case' 0 N--CA 1.426 -1.665 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.488 ' O ' ' HA ' ' A' ' 20' ' ' SER . 26.4 mt-30 -138.23 9.2 2.73 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -101.94 148.34 25.47 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 119.427 -0.909 . . . . 0.0 111.006 -174.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.5 tp -143.25 160.18 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.196 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -69.45 114.6 7.83 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.093 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.85 129.57 38.95 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 104.982 -2.229 . . . . 0.0 104.982 169.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -82.78 -18.23 41.36 Favored 'General case' 0 C--N 1.259 -3.333 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -175.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.598 ' ND2' HD12 ' A' ' 28' ' ' LEU . 68.0 m-20 -89.28 -37.77 14.7 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.757 -1.565 . . . . 0.0 114.581 -171.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 21.5 p -115.76 0.31 13.15 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 118.835 -1.146 . . . . 0.0 110.773 170.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.01 35.14 88.89 Favored Glycine 0 CA--C 1.5 -0.85 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.814 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 42.9 ttm180 -119.61 146.12 45.82 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 120.483 -0.487 . . . . 0.0 112.043 -172.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -76.12 102.24 5.65 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 125.3 1.44 . . . . 0.0 107.687 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.3 t -134.84 155.23 38.04 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.672 -176.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.509 ' HB3' ' HB2' ' A' ' 23' ' ' ARG . 37.3 t -58.29 132.55 53.97 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 120.936 0.398 . . . . 0.0 111.916 -178.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.85 -30.18 68.65 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 124.153 0.981 . . . . 0.0 109.173 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -74.27 -25.55 59.68 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.611 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.509 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 62.7 mtp180 -111.13 8.14 21.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.291 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.405 ' CD1' HD22 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.73 -37.88 85.56 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 122.701 0.4 . . . . 0.0 111.608 -171.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.9 -51.78 65.64 Favored 'General case' 0 C--O 1.259 1.602 0 CA-C-O 121.019 0.438 . . . . 0.0 111.783 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.33 -36.83 85.42 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-O 121.974 0.892 . . . . 0.0 108.721 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -60.94 -42.61 98.53 Favored 'General case' 0 C--O 1.186 -2.271 0 CA-C-N 114.134 -1.393 . . . . 0.0 109.946 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.598 HD12 ' ND2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -66.17 -31.79 72.84 Favored 'General case' 0 CA--C 1.479 -1.759 0 CA-C-N 117.728 0.24 . . . . 0.0 110.875 -178.657 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -64.35 -43.03 95.84 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.432 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -69.29 -39.8 78.1 Favored 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.9 t -65.16 -61.73 1.96 Allowed 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 125.915 1.686 . . . . 0.0 110.937 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 mt -100.18 -26.61 13.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 115.969 1.841 . . . . 0.0 115.969 -172.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 t -72.82 -23.86 60.83 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 118.721 -1.192 . . . . 0.0 109.475 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -83.03 -50.62 8.34 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 172.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.01 148.16 6.21 Favored Glycine 0 N--CA 1.425 -2.093 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.552 176.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.59 166.17 23.51 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.62 -1.79 7.37 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.262 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.3 -1.569 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.752 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.9 tptm 71.36 -33.88 0.28 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.924 1.29 . . . . 0.0 114.233 175.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -80.18 105.72 11.66 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 121.9 -0.5 . . . . 0.0 110.493 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -114.37 -33.08 5.73 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.458 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 69.18 -85.66 0.03 OUTLIER 'General case' 0 C--O 1.234 0.287 0 C-N-CA 125.175 1.39 . . . . 0.0 112.715 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 p -137.14 85.88 2.16 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 121.883 0.849 . . . . 0.0 112.746 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m -148.92 97.2 2.67 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.235 176.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -143.27 23.29 1.84 Allowed 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -99.25 147.87 24.72 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 119.557 -0.857 . . . . 0.0 108.958 -173.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.18 166.47 26.73 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -77.54 117.72 19.26 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-O 121.178 0.513 . . . . 0.0 112.379 -173.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 53.5 t -77.58 137.41 38.57 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 173.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -93.29 -15.49 25.75 Favored 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.623 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 17.4 m120 -75.49 -43.71 47.74 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 113.838 -1.528 . . . . 0.0 111.675 -171.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.523 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 24.2 p -117.07 2.26 12.65 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.245 171.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 65.79 35.28 90.71 Favored Glycine 0 C--N 1.338 0.644 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.311 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.523 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 14.3 ttp180 -120.8 149.64 42.25 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -174.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -79.18 102.86 8.74 Favored 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 125.375 1.47 . . . . 0.0 107.407 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -124.01 145.01 31.81 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.383 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.756 -174.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.449 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 75.6 m -45.29 122.99 3.74 Favored 'General case' 0 C--O 1.214 -0.773 0 C-N-CA 125.896 1.678 . . . . 0.0 111.851 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.65 -46.62 77.44 Favored 'General case' 0 CA--C 1.5 -0.959 0 C-N-CA 124.326 1.05 . . . . 0.0 111.565 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.74 -23.04 62.36 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 122.012 0.91 . . . . 0.0 110.251 -177.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.449 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 15.0 tpp180 -99.3 -11.99 20.74 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.132 -173.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 24.8 tp -65.13 -19.97 66.24 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -173.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.75 -64.4 0.87 Allowed 'General case' 0 C--O 1.242 0.692 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 175.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.24 73.52 Favored 'General case' 0 C--O 1.251 1.18 0 CA-C-O 122.12 0.962 . . . . 0.0 109.607 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.462 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 76.6 t60 -58.7 -47.39 84.7 Favored 'General case' 0 C--O 1.191 -1.985 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.297 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -37.83 88.36 Favored 'General case' 0 CA--C 1.486 -1.484 0 O-C-N 123.557 0.536 . . . . 0.0 110.855 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.79 -40.46 88.39 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.884 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -75.77 -44.14 42.98 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.056 0.455 . . . . 0.0 110.895 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.0 t -61.62 -30.19 70.54 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 124.804 1.242 . . . . 0.0 111.523 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.52 -42.04 9.44 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 122.161 -0.337 . . . . 0.0 110.618 -177.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.0 m -74.87 -13.58 60.57 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -121.01 153.32 37.51 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.78 -9.74 55.47 Favored Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 120.003 -1.094 . . . . 0.0 112.572 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.57 -56.24 4.58 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -139.94 -36.32 0.5 Allowed 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 . . . . . 0 N--CA 1.426 -1.671 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 174.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.699 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt 64.65 -77.72 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.417 1.487 . . . . 0.0 110.943 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -173.55 -58.47 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 54.07 150.38 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.473 2.309 . . . . 0.0 114.738 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -122.81 35.14 4.95 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 122.872 1.32 . . . . 0.0 108.838 176.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.427 ' HA ' ' HB2' ' A' ' 9' ' ' TYR . 68.6 m -77.64 24.19 0.22 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 113.222 -1.808 . . . . 0.0 112.251 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -100.15 -31.5 11.37 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 169.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -96.26 -5.42 40.33 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.13 173.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.427 ' HB2' ' HA ' ' A' ' 6' ' ' SER . 15.9 m-85 -117.37 131.42 56.78 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 173.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.2 tp -113.09 152.18 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.703 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -81.08 123.16 28.16 Favored 'General case' 0 N--CA 1.424 -1.725 0 C-N-CA 118.53 -1.268 . . . . 0.0 108.545 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.48 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 39.9 t -71.3 141.87 50.48 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -87.15 -17.43 32.76 Favored 'General case' 0 C--N 1.278 -2.53 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.559 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 3.2 t30 -85.64 -41.58 15.08 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.855 -169.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.1 p -118.81 4.86 11.5 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.607 174.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.48 ' HA2' ' O ' ' A' ' 12' ' ' CYS . . . 61.47 35.56 91.24 Favored Glycine 0 N--CA 1.479 1.556 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.882 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 -121.12 148.88 43.6 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -171.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -75.39 97.78 3.72 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.075 1.75 . . . . 0.0 109.556 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 t -129.66 145.8 35.14 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.587 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 6.2 m -46.79 128.34 10.7 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.598 1.159 . . . . 0.0 111.633 -175.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.4 -42.12 77.42 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 124.936 1.294 . . . . 0.0 111.321 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -70.1 -25.41 63.49 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.598 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.419 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 24.7 mmt180 -99.76 -3.96 31.67 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.649 -172.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.1 tm? -59.84 -37.92 80.61 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 123.133 0.271 . . . . 0.0 110.375 -174.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.46 -62.18 1.97 Allowed 'General case' 0 C--N 1.315 -0.919 0 O-C-N 123.277 0.361 . . . . 0.0 111.916 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.57 79.22 Favored 'General case' 0 C--O 1.251 1.173 0 CA-C-O 121.995 0.902 . . . . 0.0 109.496 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -58.03 -45.0 87.66 Favored 'General case' 0 C--O 1.181 -2.506 0 CA-C-N 114.156 -1.384 . . . . 0.0 109.247 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -67.21 -36.24 81.29 Favored 'General case' 0 CA--C 1.48 -1.739 0 O-C-N 123.355 0.409 . . . . 0.0 110.901 -177.747 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -60.71 -41.0 94.36 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 119.137 -1.025 . . . . 0.0 110.11 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 ttp-105 -74.32 -44.99 50.21 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.552 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' A' ' 14' ' ' ASN . 25.1 t -57.43 -40.75 79.03 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 125.284 1.434 . . . . 0.0 110.342 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.407 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -83.97 -37.84 21.75 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.358 -174.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.2 t -76.5 -11.25 59.85 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.204 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -114.32 15.9 17.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.237 0.541 . . . . 0.0 109.862 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.86 81.34 0.05 OUTLIER Glycine 0 N--CA 1.432 -1.596 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.93 102.72 3.53 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-O 121.397 0.618 . . . . 0.0 111.286 -177.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -74.75 -12.93 60.53 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.251 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 . . . . . 0 N--CA 1.433 -1.317 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 177.602 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.778 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -75.99 -37.24 58.74 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 120.859 0.361 . . . . 0.0 111.455 -177.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.403 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 25.8 mt-30 -84.85 73.61 10.61 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.901 0.858 . . . . 0.0 110.002 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -82.5 -4.31 57.3 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.408 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -107.05 -5.99 17.73 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.399 0.618 . . . . 0.0 110.783 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.403 ' OG ' ' HB3' ' A' ' 3' ' ' GLN . 9.8 m -95.77 4.61 52.77 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.821 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 p -66.88 117.76 9.43 Favored 'General case' 0 N--CA 1.425 -1.681 0 CA-C-N 115.049 -0.978 . . . . 0.0 113.387 -176.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -103.15 22.29 14.31 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.104 174.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 35.0 m-85 -91.37 144.28 25.74 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.332 -176.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.4 tp -124.89 154.08 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.768 0 N-CA-C 105.267 -2.123 . . . . 0.0 105.267 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -86.27 124.62 32.84 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 117.203 -1.799 . . . . 0.0 109.541 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 42.3 t -70.87 130.08 40.71 Favored 'General case' 0 CA--C 1.472 -2.044 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -99.97 8.17 44.25 Favored 'General case' 0 C--N 1.262 -3.197 0 CA-C-O 122.072 0.939 . . . . 0.0 110.188 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.417 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 16.3 m-80 -96.01 -16.91 21.36 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.215 -1.357 . . . . 0.0 111.192 176.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.567 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 27.2 p -146.32 -3.1 0.66 Allowed 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.786 0.327 . . . . 0.0 111.761 173.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.46 41.18 67.35 Favored Glycine 0 CA--C 1.506 -0.524 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.892 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.567 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 57.7 ttt180 -120.94 136.96 54.83 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.85 110.19 10.09 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 124.478 1.111 . . . . 0.0 108.813 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.7 t -137.53 141.95 38.02 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.542 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.071 -177.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.488 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 20.1 m -48.16 127.4 12.5 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.812 0.845 . . . . 0.0 110.468 176.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.54 -32.29 62.83 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.706 0.802 . . . . 0.0 111.054 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -76.4 -23.36 54.04 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.699 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -96.13 -10.37 28.41 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -175.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.88 -38.59 79.16 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.491 -172.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.42 -58.41 7.57 Favored 'General case' 0 C--O 1.249 1.054 0 C-N-CA 122.727 0.411 . . . . 0.0 111.718 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.28 91.87 Favored 'General case' 0 C--O 1.262 1.711 0 CA-C-O 121.855 0.836 . . . . 0.0 109.279 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -58.05 -45.39 87.11 Favored 'General case' 0 C--O 1.201 -1.477 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.885 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -68.71 -30.36 69.0 Favored 'General case' 0 C--O 1.193 -1.916 0 O-C-N 123.311 0.382 . . . . 0.0 110.833 -177.1 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -63.64 -41.38 98.26 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.672 174.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -71.72 -41.22 68.8 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.623 0.725 . . . . 0.0 109.331 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.6 t -68.63 -24.25 64.53 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 125.001 1.32 . . . . 0.0 111.531 -178.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -94.22 -40.72 9.86 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -177.31 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.3 m -68.73 -33.38 73.84 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-O 121.572 0.701 . . . . 0.0 110.344 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -108.24 -161.24 0.76 Allowed 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.76 -78.66 0.19 Allowed Glycine 0 CA--C 1.485 -1.839 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -158.83 162.7 37.03 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -99.39 79.77 2.33 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 175.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 . . . . . 0 C--N 1.312 -1.038 0 CA-C-N 114.03 -1.441 . . . . 0.0 108.657 -177.954 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.06 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -119.17 -85.39 0.65 Allowed 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -146.92 -64.48 0.28 Allowed 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -74.16 -26.93 60.59 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 174.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -88.78 91.72 8.93 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.265 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -99.93 -49.33 4.37 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.9 m 70.92 -31.96 0.24 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.639 1.575 . . . . 0.0 113.653 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.552 ' O ' ' HA ' ' A' ' 20' ' ' SER . 9.9 tt0 -83.91 97.68 9.36 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 91.3 m-85 -103.71 137.31 41.92 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 175.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.9 tp -118.46 148.0 21.6 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.065 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -75.28 115.26 14.73 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 51.5 t -71.54 134.63 46.61 Favored 'General case' 0 N--CA 1.413 -2.294 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 176.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.405 ' H ' ' CD ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -97.58 -8.2 29.54 Favored 'General case' 0 C--N 1.26 -3.323 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -178.155 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.6 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 23.3 m-80 -82.25 -38.54 24.32 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 113.578 -1.647 . . . . 0.0 111.499 -177.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.516 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.8 p -126.31 -0.96 6.99 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.423 173.032 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.74 37.22 76.06 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.503 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.516 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 6.6 ttp180 -121.39 152.94 38.45 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -176.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -86.19 101.48 13.05 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 125.108 1.363 . . . . 0.0 108.888 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -129.93 145.77 35.15 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.019 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.727 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.552 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 45.6 m -58.3 130.3 46.07 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 123.474 0.71 . . . . 0.0 111.107 -177.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.72 -25.14 66.22 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 123.451 0.7 . . . . 0.0 110.677 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -77.06 -17.47 58.73 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.66 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -116.23 -2.09 12.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.814 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD11 ' O ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -59.01 -39.31 81.5 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.776 -170.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -59.23 -55.27 37.06 Favored 'General case' 0 C--O 1.248 0.974 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.6 -36.98 83.93 Favored 'General case' 0 C--O 1.276 2.463 0 CA-C-O 121.852 0.834 . . . . 0.0 109.55 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -55.52 -49.56 72.28 Favored 'General case' 0 C--O 1.199 -1.568 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.106 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.46 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -64.47 -33.32 75.61 Favored 'General case' 0 CA--C 1.493 -1.226 0 O-C-N 123.708 0.63 . . . . 0.0 110.918 -177.664 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 30.3 mm-40 -59.11 -45.3 91.25 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -74.38 -43.77 55.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.439 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.46 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 32.0 t -53.53 -46.45 70.16 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 125.075 1.35 . . . . 0.0 110.802 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.09 -44.43 15.14 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.31 -175.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 56.5 m -62.35 -29.54 70.53 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.331 0.586 . . . . 0.0 111.647 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -106.02 16.43 25.06 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.695 0.76 . . . . 0.0 109.716 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -122.34 26.71 6.28 Favored Glycine 0 N--CA 1.432 -1.585 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.92 96.19 3.1 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -110.45 153.94 24.31 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.135 -176.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.551 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.497 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -63.12 -37.56 87.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.009 0.433 . . . . 0.0 110.796 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -87.42 15.53 6.43 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.777 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -121.17 175.98 5.83 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 120.814 0.34 . . . . 0.0 110.469 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -71.86 157.31 38.11 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.4 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -59.04 103.19 0.15 Allowed 'General case' 0 C--N 1.32 -0.685 0 O-C-N 123.85 0.719 . . . . 0.0 109.659 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -91.68 112.86 24.96 Favored 'General case' 0 N--CA 1.42 -1.939 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.276 -174.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -101.19 0.7 38.05 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.421 0.629 . . . . 0.0 109.452 172.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 75.3 m-85 -89.79 151.3 21.87 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 tp -144.48 150.38 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.331 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 178.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -71.98 130.17 40.34 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 118.441 -1.304 . . . . 0.0 109.739 176.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 38.3 t -71.67 138.58 48.73 Favored 'General case' 0 N--CA 1.416 -2.16 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 175.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -86.31 -14.36 43.86 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.567 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 31.7 m-80 -84.2 -49.99 8.3 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.434 -1.257 . . . . 0.0 112.589 -175.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.5 p -114.82 8.73 16.11 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.457 175.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.41 33.08 85.19 Favored Glycine 0 N--CA 1.468 0.808 0 C-N-CA 121.583 -0.341 . . . . 0.0 112.572 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.481 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 11.1 ttp180 -120.44 133.05 55.48 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -172.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.92 104.62 0.72 Allowed 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 125.427 1.491 . . . . 0.0 109.683 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -134.77 151.3 31.14 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.851 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.2 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 44.1 t -56.91 130.45 45.94 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 120.911 0.386 . . . . 0.0 110.563 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.47 -12.82 61.96 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.62 0.724 . . . . 0.0 110.431 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -93.35 -9.91 37.16 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.869 0.842 . . . . 0.0 109.634 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -115.0 -6.19 12.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.236 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.35 -37.91 76.13 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 124.106 0.962 . . . . 0.0 112.609 -170.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.21 -58.57 6.76 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.08 75.38 Favored 'General case' 0 C--O 1.272 2.256 0 CA-C-O 122.19 0.995 . . . . 0.0 109.233 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -58.37 -46.66 85.89 Favored 'General case' 0 C--O 1.187 -2.193 0 CA-C-N 113.779 -1.555 . . . . 0.0 108.997 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.66 -38.14 86.66 Favored 'General case' 0 CA--C 1.482 -1.669 0 O-C-N 123.622 0.576 . . . . 0.0 110.846 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.33 -40.81 95.59 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 119.162 -1.015 . . . . 0.0 110.747 175.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -73.55 -40.48 63.93 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.1 t -62.7 -39.55 94.35 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 125.801 1.641 . . . . 0.0 110.508 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.26 -36.45 39.84 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.9 t -62.94 -47.85 81.45 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.053 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -152.62 155.43 37.32 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-O 120.951 0.405 . . . . 0.0 111.835 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.99 -101.61 1.51 Allowed Glycine 0 N--CA 1.426 -1.989 0 N-CA-C 108.889 -1.684 . . . . 0.0 108.889 175.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.11 145.01 29.96 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 70.2 154.34 0.12 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.021 0.928 . . . . 0.0 112.321 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.305 -1.337 0 CA-C-O 117.939 -1.029 . . . . 0.0 108.744 176.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.157 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -137.29 -59.21 0.69 Allowed 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 77.41 112.78 0.07 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.539 1.535 . . . . 0.0 113.48 174.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -153.67 -176.15 5.69 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.492 ' O ' ' HG3' ' A' ' 8' ' ' GLN . 29.3 mm-40 73.32 -58.29 0.6 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.074 1.35 . . . . 0.0 112.406 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 t -68.66 -34.45 75.73 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 171.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.7 m -86.04 83.79 7.68 Favored 'General case' 0 N--CA 1.407 -2.606 0 CA-C-N 114.128 -1.396 . . . . 0.0 109.014 175.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 5' ' ' GLU . 90.6 mt-30 -94.31 18.44 11.04 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.548 177.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -100.51 136.76 39.88 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 178.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.5 tp -112.49 154.67 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.927 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -76.29 115.3 15.89 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.302 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 53.7 t -79.65 129.63 34.65 Favored 'General case' 0 N--CA 1.414 -2.244 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 172.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -13.0 28.97 Favored 'General case' 0 C--N 1.268 -2.943 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.619 ' ND2' HD11 ' A' ' 28' ' ' LEU . 50.4 m-20 -75.34 -37.47 60.67 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 114.032 -1.44 . . . . 0.0 113.016 -175.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.553 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.2 p -123.88 0.03 8.54 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.637 170.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.09 41.04 92.97 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.958 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.553 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 79.2 ttt180 -120.71 153.5 36.87 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -174.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -99.34 99.01 9.89 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -175.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.3 t -125.65 146.79 30.79 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.172 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 -171.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -49.43 122.16 5.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.547 1.139 . . . . 0.0 110.534 -178.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.32 -30.27 59.89 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.172 0.989 . . . . 0.0 112.546 -175.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -80.14 -18.09 50.74 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.39 0.614 . . . . 0.0 111.057 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -108.28 2.0 22.36 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.602 -177.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -65.13 -36.02 82.95 Favored 'General case' 0 C--O 1.205 -1.286 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.371 -174.418 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -53.12 -61.68 2.14 Favored 'General case' 0 C--O 1.251 1.135 0 C-N-CA 122.901 0.48 . . . . 0.0 112.231 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.21 -35.07 79.47 Favored 'General case' 0 C--O 1.25 1.129 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -54.03 -52.12 61.85 Favored 'General case' 0 C--O 1.196 -1.738 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.309 174.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.619 HD11 ' ND2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -63.74 -34.56 78.15 Favored 'General case' 0 CA--C 1.482 -1.658 0 O-C-N 123.75 0.656 . . . . 0.0 110.964 -177.088 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 22.9 mm-40 -59.95 -46.34 89.72 Favored 'General case' 0 C--O 1.203 -1.371 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.05 178.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -74.7 -41.84 59.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.9 0.381 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 37.2 t -51.98 -53.95 35.5 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 125.284 1.434 . . . . 0.0 110.33 177.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.9 mt -86.41 -25.7 25.14 Favored 'General case' 0 N--CA 1.44 -0.925 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.4 t -68.65 -31.2 70.16 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -100.0 -4.82 29.23 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.732 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.36 57.97 2.71 Favored Glycine 0 C--N 1.309 -0.959 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.23 118.08 23.38 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-O 120.945 0.402 . . . . 0.0 110.956 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -79.97 -38.34 32.43 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.328 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 . . . . . 0 C--O 1.246 0.92 0 C-N-CA 124.961 1.304 . . . . 0.0 110.925 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.176 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -137.25 135.7 37.43 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -106.9 98.57 8.22 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 120.904 0.383 . . . . 0.0 110.767 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -64.59 -44.72 89.75 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -123.23 141.14 52.29 Favored 'General case' 0 N--CA 1.415 -2.222 0 CA-C-N 113.95 -1.477 . . . . 0.0 107.279 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 m -74.64 112.86 11.27 Favored 'General case' 0 N--CA 1.418 -2.027 0 N-CA-C 106.217 -1.772 . . . . 0.0 106.217 172.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.407 ' C ' ' H ' ' A' ' 9' ' ' TYR . 17.0 m -75.56 72.07 2.52 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-O 121.397 0.617 . . . . 0.0 111.105 -175.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -78.08 24.35 0.25 Allowed 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 124.486 1.115 . . . . 0.0 111.324 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.407 ' H ' ' C ' ' A' ' 7' ' ' SER . 35.2 m-85 -110.59 145.61 37.56 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -177.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 tp -130.13 154.87 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.393 -3.312 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -71.85 120.39 17.38 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 35.3 t -70.87 128.09 34.83 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 175.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -83.22 -5.91 59.29 Favored 'General case' 0 C--N 1.277 -2.568 0 O-C-N 123.743 0.652 . . . . 0.0 109.646 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -93.08 -57.04 2.75 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.668 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.579 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 28.3 p -103.87 1.7 31.75 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.998 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.54 37.6 89.82 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.524 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.579 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 25.1 ttp180 -121.37 140.27 52.34 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -78.95 103.06 8.64 Favored 'General case' 0 CA--C 1.498 -1.026 0 C-N-CA 124.442 1.097 . . . . 0.0 108.529 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.411 ' CG2' ' HG2' ' A' ' 17' ' ' ARG . 43.8 t -132.42 149.56 32.41 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.364 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.874 -176.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -49.77 119.94 3.9 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.618 0.767 . . . . 0.0 111.911 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.02 73.11 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 124.864 1.266 . . . . 0.0 110.778 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -62.29 -26.72 68.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.95 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.22 15.7 15.92 Favored 'General case' 0 N--CA 1.428 -1.553 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.43 -174.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.5 -36.44 82.72 Favored 'General case' 0 C--O 1.198 -1.615 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -174.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.48 -48.72 78.38 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 120.666 0.269 . . . . 0.0 111.362 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.5 -42.23 95.97 Favored 'General case' 0 C--O 1.25 1.093 0 CA-C-O 121.984 0.897 . . . . 0.0 108.813 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -60.32 -43.43 96.4 Favored 'General case' 0 C--O 1.174 -2.9 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.822 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -67.5 -31.85 72.25 Favored 'General case' 0 CA--C 1.482 -1.647 0 CA-C-N 117.952 0.342 . . . . 0.0 111.152 -177.793 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -67.12 -37.44 83.88 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 119.019 -1.072 . . . . 0.0 109.615 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -70.44 -45.83 65.06 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 176.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.41 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 29.7 t -60.43 -42.07 95.33 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 126.408 1.883 . . . . 0.0 110.647 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -84.64 -43.12 14.69 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.719 -175.8 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.6 t -71.95 -33.81 68.49 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.593 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -91.31 -3.31 56.94 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.683 0.754 . . . . 0.0 110.322 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -114.51 15.06 20.13 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.09 115.63 27.5 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 115.157 -0.522 . . . . 0.0 110.075 -177.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -93.52 -60.98 1.64 Allowed 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 . . . . . 0 C--O 1.247 0.956 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 177.215 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.025 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -93.36 101.66 13.9 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 117.034 0.417 . . . . 0.0 111.404 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -108.69 -40.43 5.08 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 175.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -104.45 138.65 40.52 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -95.2 93.52 7.36 Favored 'General case' 0 C--N 1.292 -1.915 0 CA-C-O 122.087 0.946 . . . . 0.0 111.38 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 8' ' ' GLN . 8.5 t -150.57 27.51 0.73 Allowed 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 105.731 -1.951 . . . . 0.0 105.731 175.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.53 32.52 0.57 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 113.721 -1.582 . . . . 0.0 108.889 -175.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.605 ' O ' ' HA ' ' A' ' 20' ' ' SER . 51.5 mt-30 -92.23 16.88 10.56 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.267 -171.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -125.43 149.8 47.88 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 8.9 tp -136.3 152.71 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.171 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -80.38 114.55 19.36 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.512 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 50.4 t -71.62 135.2 46.84 Favored 'General case' 0 N--CA 1.42 -1.944 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 177.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -92.4 -12.33 32.52 Favored 'General case' 0 C--N 1.269 -2.904 0 CA-C-O 122.116 0.96 . . . . 0.0 108.508 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.512 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 19.8 m120 -87.64 -14.29 40.38 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.107 -1.406 . . . . 0.0 112.136 -173.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.3 p -147.37 2.32 0.74 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 171.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 63.45 36.86 93.94 Favored Glycine 0 C--O 1.22 -0.761 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.694 -177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.469 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 20.3 tpp180 -119.96 147.38 44.84 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 -174.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -84.36 105.84 15.5 Favored 'General case' 0 CA--C 1.488 -1.41 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 51.4 t -129.0 149.68 33.92 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.19 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.355 -174.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.605 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 5.2 m -53.35 126.98 23.11 Favored 'General case' 0 N--CA 1.428 -1.568 0 C-N-CA 123.746 0.818 . . . . 0.0 111.323 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.65 88.04 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 124.666 1.186 . . . . 0.0 110.996 -177.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -62.97 -26.88 69.05 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.828 0.823 . . . . 0.0 110.684 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -98.31 -6.7 30.39 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.409 -174.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -58.1 -39.23 78.11 Favored 'General case' 0 C--O 1.206 -1.197 0 O-C-N 123.353 0.408 . . . . 0.0 111.487 -172.11 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.06 -58.88 6.03 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-O 121.029 0.442 . . . . 0.0 111.771 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.9 83.3 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-O 121.837 0.827 . . . . 0.0 109.396 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -57.65 -44.59 85.75 Favored 'General case' 0 C--O 1.187 -2.195 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.422 175.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.19 -34.83 78.35 Favored 'General case' 0 CA--C 1.477 -1.85 0 O-C-N 123.401 0.438 . . . . 0.0 110.591 -177.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -59.81 -43.48 94.49 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -72.31 -45.22 60.93 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.477 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.4 t -58.16 -44.37 87.89 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.474 1.51 . . . . 0.0 110.695 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.95 -46.56 29.1 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -176.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.7 m -63.14 -33.25 75.06 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -95.89 0.29 51.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.86 85.09 1.09 Allowed Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 109.729 -1.348 . . . . 0.0 109.729 177.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.15 -55.37 1.36 Allowed 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -174.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -73.1 -26.96 61.43 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.838 0.828 . . . . 0.0 109.896 -176.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.425 -1.706 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 175.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.442 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -97.66 -36.19 10.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.283 0.563 . . . . 0.0 110.038 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -111.85 88.76 2.88 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 173.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -91.59 99.37 12.3 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -167.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -149.38 24.83 0.89 Allowed 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 168.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 m -96.8 101.92 13.61 Favored 'General case' 0 N--CA 1.416 -2.168 0 CA-C-N 114.36 -1.291 . . . . 0.0 110.885 -172.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.3 p -83.35 -55.36 4.37 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -141.13 49.49 1.65 Allowed 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 175.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.451 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.6 OUTLIER -99.98 144.84 28.56 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.103 -177.248 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.8 tp -126.42 160.29 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.911 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -80.03 115.42 19.59 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.621 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 53.8 t -71.49 133.73 46.05 Favored 'General case' 0 N--CA 1.421 -1.878 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 175.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.02 2.03 45.89 Favored 'General case' 0 C--N 1.27 -2.851 0 CA-C-O 122.472 1.13 . . . . 0.0 108.98 -176.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.621 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 35.5 m-80 -93.22 -56.15 3.06 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.838 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -103.41 -6.47 21.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.463 174.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.61 35.71 50.66 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.715 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -120.94 152.24 38.74 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.835 -175.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.75 104.13 11.92 Favored 'General case' 0 CA--C 1.495 -1.146 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.1 t -129.88 144.94 36.53 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.877 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.536 -175.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.451 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 47.5 t -53.54 131.63 38.85 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.459 0.704 . . . . 0.0 110.651 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.21 -30.22 68.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.637 0.732 . . . . 0.0 109.854 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -71.34 -27.06 63.1 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.601 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -93.18 -27.19 17.04 Favored 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.009 -176.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.64 -43.98 6.1 Favored 'General case' 0 C--O 1.196 -1.712 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -173.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.56 -59.38 5.54 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-O 121.084 0.469 . . . . 0.0 111.821 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.78 78.98 Favored 'General case' 0 C--O 1.257 1.458 0 CA-C-O 122.355 1.074 . . . . 0.0 109.494 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -60.88 -43.02 99.01 Favored 'General case' 0 C--O 1.188 -2.166 0 CA-C-N 114.264 -1.334 . . . . 0.0 110.028 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.51 -35.31 80.53 Favored 'General case' 0 CA--C 1.475 -1.907 0 CA-C-N 117.92 0.327 . . . . 0.0 110.469 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 33' ' ' SER . 30.6 mm-40 -57.67 -45.81 85.09 Favored 'General case' 0 N--CA 1.444 -0.755 0 O-C-N 123.999 0.812 . . . . 0.0 108.86 175.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -72.04 -45.77 59.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.103 0.478 . . . . 0.0 110.247 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.2 t -57.39 -43.92 84.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.094 1.357 . . . . 0.0 110.099 -177.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.8 mt -90.84 -14.55 31.61 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.48 ' HB2' ' O ' ' A' ' 29' ' ' GLN . 22.8 t -61.85 -46.58 88.84 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -87.31 -44.4 11.43 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.687 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.83 -160.12 52.6 Favored Glycine 0 N--CA 1.442 -0.938 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.27 106.58 7.63 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -86.7 114.18 23.18 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 177.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 . . . . . 0 C--N 1.293 -1.873 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -176.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.222 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -73.57 136.35 43.98 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 116.859 0.33 . . . . 0.0 110.764 -178.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -139.26 4.15 2.2 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 120.809 0.338 . . . . 0.0 111.695 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -92.04 90.26 7.31 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.537 0.684 . . . . 0.0 110.399 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -125.21 174.82 7.83 Favored 'General case' 0 N--CA 1.421 -1.894 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.989 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -125.52 97.44 5.18 Favored 'General case' 0 N--CA 1.419 -1.99 0 CA-C-O 120.999 0.428 . . . . 0.0 110.675 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -144.45 -55.06 0.34 Allowed 'General case' 0 N--CA 1.432 -1.327 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -103.33 8.89 38.18 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -179.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -114.9 149.66 36.86 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 tp -139.5 155.44 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.643 0 N-CA-C 105.901 -1.889 . . . . 0.0 105.901 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -79.63 128.57 33.56 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 117.998 -1.481 . . . . 0.0 109.94 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 41.7 t -71.95 130.28 40.6 Favored 'General case' 0 N--CA 1.407 -2.607 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 173.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -92.26 -0.05 57.43 Favored 'General case' 0 C--N 1.263 -3.194 0 CA-C-O 121.671 0.748 . . . . 0.0 109.412 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.61 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 16.4 m120 -93.55 -57.2 2.65 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.772 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 p -97.93 -14.26 20.74 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 120.201 -0.599 . . . . 0.0 111.528 174.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.87 38.05 17.3 Favored Glycine 0 CA--C 1.505 -0.555 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.561 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -121.33 140.91 51.47 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -75.3 104.34 5.83 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 177.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.0 t -128.83 153.64 38.66 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.649 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.343 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m -56.42 123.84 16.08 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 123.692 0.797 . . . . 0.0 111.065 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.78 -36.48 72.21 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 124.717 1.207 . . . . 0.0 112.254 -175.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -75.31 -19.41 59.67 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.589 0.709 . . . . 0.0 110.671 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 -106.87 3.66 26.54 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.485 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.426 ' CD1' HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -66.78 -35.34 79.85 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.141 -173.367 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.92 -55.88 28.66 Favored 'General case' 0 C--O 1.254 1.321 0 C-N-CA 122.533 0.333 . . . . 0.0 111.84 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.1 93.42 Favored 'General case' 0 C--O 1.258 1.525 0 CA-C-O 122.133 0.968 . . . . 0.0 108.947 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -57.88 -44.62 86.8 Favored 'General case' 0 C--O 1.19 -2.045 0 CA-C-N 113.801 -1.545 . . . . 0.0 109.499 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -64.05 -35.94 82.36 Favored 'General case' 0 CA--C 1.475 -1.925 0 O-C-N 123.096 0.248 . . . . 0.0 111.135 -179.286 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -62.22 -40.09 94.97 Favored 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.389 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -72.41 -43.01 64.48 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.784 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 t -59.58 -45.69 91.12 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 125.504 1.522 . . . . 0.0 109.654 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -39.17 61.95 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.857 -177.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 t -64.28 -47.87 77.87 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.673 0.273 . . . . 0.0 110.928 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -64.95 -38.25 90.33 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-O 121.184 0.516 . . . . 0.0 110.887 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.04 46.28 0.66 Allowed Glycine 0 N--CA 1.426 -1.972 0 C-N-CA 119.69 -1.243 . . . . 0.0 113.377 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.59 75.91 4.13 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 122.505 1.145 . . . . 0.0 109.63 175.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -142.96 130.89 21.65 Favored 'General case' 0 N--CA 1.416 -2.152 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 . . . . . 0 C--N 1.293 -1.872 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -178.084 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.401 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.64 120.42 16.34 Favored 'General case' 0 C--N 1.307 -1.239 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 176.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -121.67 78.98 1.5 Allowed 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.27 0.557 . . . . 0.0 111.156 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -115.38 -44.96 2.95 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 175.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.14 -19.43 51.05 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.004 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t 79.33 87.85 0.06 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.885 1.674 . . . . 0.0 111.028 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 m -81.48 -36.98 28.66 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.362 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -97.79 10.46 40.06 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -173.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -112.03 152.2 28.44 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.5 tp -126.27 154.83 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.555 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -76.74 110.16 11.1 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.035 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 48.3 t -71.52 136.22 47.44 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 175.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -101.62 0.69 36.71 Favored 'General case' 0 C--N 1.279 -2.483 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.55 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 14.4 m120 -89.13 -39.14 13.8 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.147 -177.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.1 p -121.93 0.31 9.69 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.02 0.438 . . . . 0.0 110.211 172.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.91 37.01 91.9 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.171 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.54 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 1.6 tpm_? -119.92 143.17 48.12 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -174.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -79.82 101.79 8.71 Favored 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.3 t -128.26 149.23 32.93 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.466 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.591 -175.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.8 m -45.5 119.12 2.0 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.589 1.155 . . . . 0.0 111.834 -176.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.61 -48.79 71.78 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 126.035 1.734 . . . . 0.0 112.451 -173.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -73.81 -14.28 61.07 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.382 -175.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -114.56 9.61 16.65 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-O 121.626 0.727 . . . . 0.0 109.598 -175.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.3 tm? -62.81 -34.21 76.83 Favored 'General case' 0 C--O 1.206 -1.201 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.876 -175.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.56 -58.77 5.97 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.53 0.732 . . . . 0.0 112.287 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.91 89.22 Favored 'General case' 0 C--O 1.286 3.013 0 CA-C-O 122.215 1.007 . . . . 0.0 109.507 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -56.48 -47.1 79.95 Favored 'General case' 0 C--O 1.192 -1.947 0 CA-C-N 113.601 -1.636 . . . . 0.0 109.293 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.453 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -64.95 -35.92 82.74 Favored 'General case' 0 CA--C 1.478 -1.799 0 O-C-N 123.699 0.624 . . . . 0.0 111.24 -177.405 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -57.65 -44.98 86.06 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 123.577 0.548 . . . . 0.0 109.603 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -77.04 -38.07 53.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.999 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.453 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 45.7 t -60.56 -40.2 90.76 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 124.775 1.23 . . . . 0.0 110.742 178.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -79.46 -44.4 21.4 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.195 -177.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -62.13 -38.24 88.2 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 121.16 0.505 . . . . 0.0 110.723 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.471 HH21 ' HA ' ' A' ' 38' ' ' ARG . 52.7 mtp180 -91.39 54.88 2.65 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 122.161 -0.337 . . . . 0.0 110.738 179.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.89 105.92 0.97 Allowed Glycine 0 C--O 1.241 0.542 0 N-CA-C 112.023 -0.431 . . . . 0.0 112.023 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 65.79 12.24 8.18 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.855 1.262 . . . . 0.0 111.63 -178.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 -97.06 94.74 7.34 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.546 0.689 . . . . 0.0 112.238 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HA ' HH21 ' A' ' 34' ' ' ARG . 15.6 ptm180 . . . . . 0 C--N 1.295 -1.772 0 CA-C-N 114.683 -1.144 . . . . 0.0 108.968 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.159 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -84.11 99.85 10.75 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -71.79 -38.62 70.25 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 106.827 -1.545 . . . . 0.0 106.827 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -129.05 127.51 41.71 Favored 'General case' 0 N--CA 1.408 -2.558 0 CA-C-N 113.388 -1.733 . . . . 0.0 106.53 178.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -86.33 6.31 30.54 Favored 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 122.749 0.42 . . . . 0.0 110.935 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m 58.88 68.73 0.79 Allowed 'General case' 0 C--O 1.243 0.715 0 C-N-CA 124.242 1.017 . . . . 0.0 110.16 179.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.1 m -101.53 -155.29 0.51 Allowed 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 114.257 -1.338 . . . . 0.0 109.591 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.5 ' O ' ' HA ' ' A' ' 20' ' ' SER . 19.4 tp60 75.51 85.34 0.09 Allowed 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 125.639 1.576 . . . . 0.0 113.325 176.401 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -106.67 136.5 46.36 Favored 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 168.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.404 HG21 HD21 ' A' ' 24' ' ' LEU . 10.3 tp -126.45 153.3 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.087 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -75.71 127.12 32.36 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.738 -0.785 . . . . 0.0 110.505 -178.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.61 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 46.5 t -75.02 125.92 29.92 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 170.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -92.3 4.85 52.48 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-O 121.972 0.891 . . . . 0.0 109.472 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.61 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 34.5 m-80 -93.59 -36.43 12.39 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.911 179.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.8 p -131.2 11.92 5.04 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.239 175.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 57.96 43.02 95.14 Favored Glycine 0 C--N 1.348 1.234 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.479 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 78.0 ttt180 -121.16 139.6 53.14 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 115.492 -0.354 . . . . 0.0 111.895 -172.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -84.34 104.1 14.08 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 123.871 0.869 . . . . 0.0 108.933 -176.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.7 t -129.65 144.13 39.02 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.595 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.505 -176.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.5 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 14.5 t -45.98 130.76 9.87 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 124.37 1.068 . . . . 0.0 109.485 174.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.26 -25.35 67.79 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.372 0.606 . . . . 0.0 110.164 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -72.4 -39.24 68.1 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.274 178.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -88.24 -24.14 23.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.781 -174.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.456 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 37.7 tp -58.67 -22.53 57.2 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -173.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -65.41 -60.81 2.56 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-O 121.028 0.442 . . . . 0.0 110.978 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.66 -33.3 75.35 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-O 121.926 0.869 . . . . 0.0 108.87 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.456 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 60.8 t60 -59.11 -45.88 89.75 Favored 'General case' 0 C--O 1.196 -1.738 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.58 175.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.555 HD12 ' ND2' ' A' ' 14' ' ' ASN . 0.7 OUTLIER -62.92 -37.47 87.12 Favored 'General case' 0 CA--C 1.471 -2.091 0 CA-C-N 117.936 0.335 . . . . 0.0 110.865 178.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 26.8 mm-40 -58.25 -42.62 86.81 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 123.768 0.668 . . . . 0.0 109.753 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -79.61 -42.36 25.08 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.525 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.0 t -54.26 -44.16 71.58 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.487 1.115 . . . . 0.0 110.028 177.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.4 mt -75.62 -46.96 28.66 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.873 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.8 m -64.13 -23.7 67.41 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -112.58 24.44 12.48 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.285 0.564 . . . . 0.0 110.808 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.79 119.68 5.07 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 175.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.48 162.16 27.84 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 116.991 0.395 . . . . 0.0 111.038 -177.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -138.41 165.39 26.9 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 . . . . . 0 C--N 1.292 -1.911 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.823 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.919 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -74.83 -29.08 60.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 117.173 0.486 . . . . 0.0 110.32 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 50.1 63.38 2.22 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 124.23 1.012 . . . . 0.0 111.202 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 72.83 141.26 0.06 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.369 -1.287 . . . . 0.0 114.419 -176.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -90.34 4.28 51.27 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.716 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m 69.03 -1.48 2.08 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.449 1.1 . . . . 0.0 113.925 172.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.4 m -92.31 84.2 5.15 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -123.67 10.32 9.03 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.56 -174.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -110.61 149.72 30.01 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 tp -130.25 159.93 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.068 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -87.38 117.11 25.93 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.647 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 42.6 t -73.26 127.77 33.57 Favored 'General case' 0 N--CA 1.424 -1.759 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 175.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -85.43 -15.56 42.59 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.546 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 29.8 m-80 -84.4 -22.81 30.31 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 113.906 -1.497 . . . . 0.0 113.183 -172.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.482 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 24.9 p -140.69 1.25 1.7 Allowed 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.326 173.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.84 42.94 96.77 Favored Glycine 0 C--O 1.219 -0.794 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -176.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.482 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 77.9 ttt180 -121.51 149.89 42.42 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 120.196 -0.602 . . . . 0.0 111.817 -174.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -86.56 106.88 17.85 Favored 'General case' 0 CA--C 1.488 -1.411 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.3 t -132.14 143.19 40.8 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.799 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.422 -176.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 m -46.36 121.42 3.38 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 124.273 1.029 . . . . 0.0 111.227 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.23 -38.43 79.97 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 124.548 1.139 . . . . 0.0 112.157 -175.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -67.0 -22.08 65.92 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.405 0.621 . . . . 0.0 111.494 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 ttp85 -112.73 11.85 19.53 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.14 -175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.412 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.4 tm? -68.3 -41.69 80.53 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 121.831 -0.543 . . . . 0.0 111.31 -174.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -62.52 -44.07 97.26 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 111.516 0.191 . . . . 0.0 111.516 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.83 -40.62 88.03 Favored 'General case' 0 C--O 1.261 1.695 0 CA-C-O 122.278 1.037 . . . . 0.0 108.7 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -59.92 -41.64 92.18 Favored 'General case' 0 C--O 1.191 -2.001 0 CA-C-N 114.104 -1.407 . . . . 0.0 109.657 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -65.91 -32.01 73.28 Favored 'General case' 0 CA--C 1.486 -1.484 0 C-N-CA 122.547 0.339 . . . . 0.0 110.924 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 25.7 mm-40 -62.55 -45.71 91.68 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 174.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -67.32 -42.7 83.19 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.994 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.5 t -61.94 -40.79 96.72 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 124.521 1.128 . . . . 0.0 110.059 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.93 -15.53 31.86 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.6 m -76.61 -5.67 48.74 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.816 0.817 . . . . 0.0 109.471 172.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -114.13 158.43 21.3 Favored 'General case' 0 N--CA 1.419 -1.978 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.273 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.74 126.59 8.06 Favored Glycine 0 N--CA 1.429 -1.821 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.19 -73.78 0.39 Allowed 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -93.87 -27.39 16.44 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.5 mtm-85 . . . . . 0 C--N 1.305 -1.356 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.63 -179.254 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 . . . . . 0 N--CA 1.44 -0.95 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.5 pt -120.66 167.78 13.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -83.08 112.8 20.13 Favored 'General case' 0 C--N 1.276 -2.624 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.14 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 43.2 t -72.27 138.24 47.3 Favored 'General case' 0 N--CA 1.421 -1.915 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 174.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.464 ' H ' ' CD ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -95.94 -9.94 29.95 Favored 'General case' 0 C--N 1.271 -2.829 0 CA-C-O 122.069 0.938 . . . . 0.0 108.524 -177.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.444 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 15.7 m-80 -84.92 -37.38 20.62 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 114.46 -1.245 . . . . 0.0 112.529 -176.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.5 p -124.6 -3.68 7.79 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.177 0.513 . . . . 0.0 110.898 173.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.17 36.58 60.14 Favored Glycine 0 C--O 1.222 -0.622 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.193 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.571 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 7.9 tpt180 -119.38 144.67 46.77 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -175.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.73 102.13 1.46 Allowed 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 126.848 2.059 . . . . 0.0 108.146 172.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.453 HG11 ' CG ' ' A' ' 27' ' ' HIS . 49.1 t -133.15 151.33 33.8 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.842 -177.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m -61.81 126.61 27.97 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.67 -24.88 67.97 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 124.271 1.028 . . . . 0.0 109.219 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -78.4 -7.83 57.8 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.297 -1.32 . . . . 0.0 110.374 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -131.7 8.25 4.51 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.979 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.445 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -65.34 -37.31 86.67 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.044 -170.496 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.29 -50.19 66.66 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.36 94.11 Favored 'General case' 0 C--O 1.272 2.276 0 CA-C-O 122.721 1.248 . . . . 0.0 108.716 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.453 ' CG ' HG11 ' A' ' 19' ' ' VAL . 67.7 t60 -58.44 -44.73 89.27 Favored 'General case' 0 C--O 1.187 -2.185 0 CA-C-N 113.235 -1.802 . . . . 0.0 109.086 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -63.55 -35.29 80.01 Favored 'General case' 0 CA--C 1.483 -1.605 0 O-C-N 123.472 0.483 . . . . 0.0 111.331 -178.662 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -48.28 81.11 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 174.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -69.31 -41.6 76.53 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.127 0.489 . . . . 0.0 110.027 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.469 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 33.6 t -62.21 -48.13 81.39 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 125.057 1.343 . . . . 0.0 111.371 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 C--N 1.316 -0.879 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 -176.751 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--O 1.245 0.823 0 CA-C-O 120.746 0.308 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.03 166.76 27.8 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 108.264 -1.014 . . . . 0.0 108.264 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -73.07 114.81 11.65 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.309 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 50.4 t -71.18 129.59 39.31 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 174.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -87.52 -6.8 58.2 Favored 'General case' 0 C--N 1.269 -2.901 0 CA-C-O 122.294 1.045 . . . . 0.0 108.521 -176.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.47 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 39.8 m-80 -98.13 -16.75 19.4 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.072 -1.422 . . . . 0.0 113.413 -175.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.5 p -148.1 2.29 0.67 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.677 173.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.85 35.94 90.36 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.405 -178.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.476 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 74.2 ttt180 -119.15 149.02 42.42 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.133 -174.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -80.88 105.05 11.81 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 124.84 1.256 . . . . 0.0 107.876 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.33 145.67 34.25 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.359 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.195 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.45 ' HB3' ' HB2' ' A' ' 23' ' ' ARG . 30.1 t -58.85 126.74 28.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.507 0.723 . . . . 0.0 109.492 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.37 70.39 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 123.832 0.853 . . . . 0.0 111.219 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -76.13 -29.02 57.67 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.378 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.45 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 1.2 mpt_? -101.58 2.38 38.89 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.924 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.469 HD13 HD23 ' A' ' 28' ' ' LEU . 1.2 tm? -62.82 -36.18 82.35 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.222 -173.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -57.03 -54.18 49.71 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 123.401 0.438 . . . . 0.0 112.147 178.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.75 95.23 Favored 'General case' 0 C--O 1.27 2.178 0 CA-C-O 122.153 0.978 . . . . 0.0 109.111 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -59.34 -45.35 91.62 Favored 'General case' 0 C--O 1.189 -2.129 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.079 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.471 HD13 HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -67.85 -28.69 67.76 Favored 'General case' 0 CA--C 1.488 -1.404 0 C-N-CA 122.535 0.334 . . . . 0.0 111.256 -178.077 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 29.8 mm-40 -63.28 -45.61 90.63 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HE ' ' HB2' ' A' ' 30' ' ' ARG . 15.2 ttm180 -74.96 -38.71 61.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.66 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 13.0 t -60.02 -37.8 80.8 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 124.801 1.24 . . . . 0.0 109.914 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.471 HD23 HD13 ' A' ' 28' ' ' LEU . 3.3 mm? . . . . . 0 C--O 1.221 -0.413 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -177.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 . . . . . 0 N--CA 1.422 -1.869 0 CA-C-O 121.186 0.517 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 10' ' ' ILE . 11.0 tp -129.9 151.44 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.641 0 N-CA-C 105.423 -2.065 . . . . 0.0 105.423 176.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -80.49 128.7 33.89 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 118.47 -1.292 . . . . 0.0 109.604 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 51.1 t -80.48 140.99 35.63 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 174.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.15 -10.08 24.74 Favored 'General case' 0 C--N 1.274 -2.689 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.471 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 15.0 m-80 -83.06 -20.45 34.95 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 113.909 -1.496 . . . . 0.0 113.051 -177.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.6 p -140.7 4.17 1.91 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.253 0.549 . . . . 0.0 110.549 170.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 59.91 38.59 94.33 Favored Glycine 0 CA--C 1.505 -0.573 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.053 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -120.65 142.52 49.37 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.728 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -76.21 100.63 5.11 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 125.942 1.697 . . . . 0.0 107.807 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.84 152.88 38.02 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.404 ' HB3' ' HB2' ' A' ' 23' ' ' ARG . 39.5 t -54.92 127.66 29.79 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 122.974 0.51 . . . . 0.0 110.823 -176.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.6 -27.96 69.56 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.816 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -83.09 -20.32 35.11 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.945 0.879 . . . . 0.0 110.724 -178.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.404 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 98.4 mtt180 -107.79 4.02 25.12 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.652 -176.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.512 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -70.45 -37.63 74.37 Favored 'General case' 0 C--O 1.21 -1.017 0 O-C-N 123.55 0.531 . . . . 0.0 111.661 -171.405 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.58 68.36 Favored 'General case' 0 C--O 1.258 1.529 0 CA-C-O 121.393 0.616 . . . . 0.0 111.072 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.04 89.6 Favored 'General case' 0 C--O 1.251 1.153 0 CA-C-O 122.199 0.999 . . . . 0.0 108.786 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.512 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 69.3 t60 -58.68 -43.85 90.07 Favored 'General case' 0 C--O 1.179 -2.636 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.637 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -65.44 -36.14 83.02 Favored 'General case' 0 CA--C 1.481 -1.681 0 CA-C-N 117.96 0.346 . . . . 0.0 110.491 -179.101 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -59.04 -42.4 90.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -74.04 -44.43 54.35 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.827 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.9 t -57.07 -45.56 83.19 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 125.434 1.494 . . . . 0.0 109.702 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.441 -0.891 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.488 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 . . . . . 0 N--CA 1.422 -1.858 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 10' ' ' ILE . 10.6 tp -138.22 161.55 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.213 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -74.51 117.87 16.82 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.008 0.432 . . . . 0.0 110.97 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.562 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 51.2 t -75.6 134.06 40.76 Favored 'General case' 0 N--CA 1.429 -1.511 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 174.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -84.95 -15.74 43.34 Favored 'General case' 0 C--N 1.276 -2.603 0 CA-C-O 122.101 0.953 . . . . 0.0 109.054 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.562 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 13.2 m120 -86.72 -43.26 12.71 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.203 -1.362 . . . . 0.0 113.486 -171.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 21.7 p -118.26 5.33 11.9 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.842 173.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.54 38.29 95.57 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 78.9 ttt180 -120.2 154.0 35.47 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.542 -171.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -82.18 98.55 8.78 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 125.473 1.509 . . . . 0.0 107.666 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.9 t -126.99 147.62 31.89 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.505 ' HB3' ' HB3' ' A' ' 23' ' ' ARG . 28.2 t -46.17 128.44 9.52 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 124.469 1.108 . . . . 0.0 111.5 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.96 93.79 Favored 'General case' 0 C--N 1.31 -1.122 0 C-N-CA 124.335 1.054 . . . . 0.0 110.177 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -72.1 -29.35 64.0 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.034 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.505 ' HB3' ' HB3' ' A' ' 20' ' ' SER . 39.5 ttm180 -101.17 -1.44 33.87 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.329 0.585 . . . . 0.0 111.786 -175.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.49 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 29.5 tp -66.22 -19.94 65.97 Favored 'General case' 0 C--O 1.209 -1.078 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -176.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.13 -51.73 20.02 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.793 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.76 -37.06 83.86 Favored 'General case' 0 C--O 1.273 2.326 0 CA-C-O 122.102 0.953 . . . . 0.0 109.137 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.49 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 22.4 t-80 -57.56 -47.3 82.45 Favored 'General case' 0 C--O 1.198 -1.624 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.847 174.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -62.62 -36.68 83.54 Favored 'General case' 0 CA--C 1.479 -1.753 0 O-C-N 123.855 0.722 . . . . 0.0 110.991 -178.716 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -58.59 -43.67 89.6 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.562 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -76.44 -45.2 32.44 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.457 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 t -54.34 -42.22 69.99 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.54 1.136 . . . . 0.0 110.858 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -177.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.659 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 6.0 m-85 . . . . . 0 N--CA 1.44 -0.945 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.429 HD13 ' O ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -131.55 166.23 29.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 175.158 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -70.43 122.96 20.62 Favored 'General case' 0 C--N 1.284 -2.263 0 CA-C-O 121.373 0.606 . . . . 0.0 110.21 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.11 129.7 39.13 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 172.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -81.54 -9.36 59.71 Favored 'General case' 0 C--N 1.274 -2.707 0 CA-C-O 121.667 0.746 . . . . 0.0 109.792 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -101.04 -10.06 20.85 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -172.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.7 p -149.18 6.16 0.67 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.882 0.372 . . . . 0.0 110.935 170.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.6 36.77 93.13 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.458 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.44 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 17.2 tpt180 -120.21 136.66 54.56 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -171.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.59 99.66 0.16 Allowed 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 125.995 1.718 . . . . 0.0 109.159 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' HD13 ' A' ' 10' ' ' ILE . 59.1 t -135.09 137.39 50.49 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.923 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.659 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 38.7 m -48.66 132.3 17.62 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 123.907 0.883 . . . . 0.0 112.4 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.62 -30.02 66.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.765 0.793 . . . . 0.0 110.433 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -77.46 -24.61 50.23 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.151 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -100.2 -16.01 17.91 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.074 -174.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.557 HD13 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -57.15 -37.7 72.44 Favored 'General case' 0 C--O 1.2 -1.532 0 C-N-CA 124.724 1.21 . . . . 0.0 111.289 -173.756 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.61 -63.8 1.08 Allowed 'General case' 0 C--O 1.261 1.664 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.53 77.98 Favored 'General case' 0 C--O 1.261 1.661 0 CA-C-O 121.694 0.759 . . . . 0.0 109.439 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -56.38 -45.15 80.69 Favored 'General case' 0 C--O 1.193 -1.89 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.407 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.557 HD23 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.53 -32.71 72.86 Favored 'General case' 0 CA--C 1.476 -1.873 0 O-C-N 123.185 0.303 . . . . 0.0 111.07 -178.112 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -58.99 -43.36 91.45 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -77.7 -38.34 47.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.416 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 22.0 t -62.9 -31.31 72.34 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 124.229 1.012 . . . . 0.0 110.898 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.437 -1.115 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 179.777 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 . . . . . 0 N--CA 1.431 -1.387 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.68 166.87 20.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -78.34 110.73 13.64 Favored 'General case' 0 C--N 1.281 -2.375 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.999 -177.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 44.5 t -70.91 139.18 50.64 Favored 'General case' 0 CA--C 1.484 -1.565 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -111.7 12.43 21.1 Favored 'General case' 0 C--N 1.275 -2.673 0 CA-C-O 122.698 1.237 . . . . 0.0 108.772 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.576 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 16.3 m120 -98.87 -41.4 7.64 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 113.165 -1.834 . . . . 0.0 109.255 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.4 p -120.99 -2.89 9.65 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 120.949 0.404 . . . . 0.0 111.031 172.397 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.02 33.42 59.6 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.835 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.546 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 21.9 tpt180 -118.63 144.52 46.09 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 122.611 -0.346 . . . . 0.0 111.134 -174.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -79.48 103.7 9.58 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 125.468 1.507 . . . . 0.0 108.595 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 t -132.2 149.86 32.92 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.211 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.494 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.1 m -50.76 124.69 11.55 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.756 1.222 . . . . 0.0 111.311 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.76 -37.82 83.11 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 123.418 0.687 . . . . 0.0 110.744 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -66.87 -24.63 66.15 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.328 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -112.62 6.98 18.6 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -173.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.558 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -64.82 -36.36 84.07 Favored 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 -172.225 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.12 -54.47 44.68 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.67 84.73 Favored 'General case' 0 C--O 1.257 1.488 0 CA-C-O 122.048 0.927 . . . . 0.0 109.08 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 74.4 t60 -59.85 -45.97 90.75 Favored 'General case' 0 C--O 1.18 -2.57 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.906 174.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -63.9 -31.0 72.03 Favored 'General case' 0 CA--C 1.497 -1.085 0 C-N-CA 122.825 0.45 . . . . 0.0 110.824 -178.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -62.72 -48.64 78.33 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -69.08 -30.37 68.66 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.508 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.7 t -74.45 -49.29 22.93 Favored 'General case' 0 C--N 1.295 -1.798 0 C-N-CA 123.598 0.759 . . . . 0.0 110.716 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--N 1.328 -0.364 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 -172.235 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 . . . . . 0 CA--C 1.495 -1.16 0 CA-C-O 120.876 0.37 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 10' ' ' ILE . 10.5 tp -143.25 160.18 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.196 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -69.45 114.6 7.83 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.093 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.85 129.57 38.95 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 104.982 -2.229 . . . . 0.0 104.982 169.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -82.78 -18.23 41.36 Favored 'General case' 0 C--N 1.259 -3.333 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -175.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.453 ' OD1' HD11 ' A' ' 28' ' ' LEU . 7.3 m120 -89.28 -37.77 14.7 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.757 -1.565 . . . . 0.0 114.581 -171.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -115.76 0.31 13.15 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 118.835 -1.146 . . . . 0.0 110.773 170.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.01 35.14 88.89 Favored Glycine 0 CA--C 1.5 -0.85 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.814 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -119.61 146.12 45.82 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 120.483 -0.487 . . . . 0.0 112.043 -172.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -76.12 102.24 5.65 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 125.3 1.44 . . . . 0.0 107.687 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.3 t -134.84 155.23 38.04 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.672 -176.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.502 ' HB3' ' HB2' ' A' ' 23' ' ' ARG . 37.3 t -58.29 132.55 53.97 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 120.936 0.398 . . . . 0.0 111.916 -178.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.85 -30.18 68.65 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 124.153 0.981 . . . . 0.0 109.173 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -74.27 -25.55 59.68 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.611 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.502 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 62.7 mtp180 -111.13 8.14 21.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.291 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.73 -37.88 85.56 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 122.701 0.4 . . . . 0.0 111.608 -171.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.9 -51.78 65.64 Favored 'General case' 0 C--O 1.259 1.602 0 CA-C-O 121.019 0.438 . . . . 0.0 111.783 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.33 -36.83 85.42 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-O 121.974 0.892 . . . . 0.0 108.721 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -60.94 -42.61 98.53 Favored 'General case' 0 C--O 1.186 -2.271 0 CA-C-N 114.134 -1.393 . . . . 0.0 109.946 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -66.17 -31.79 72.84 Favored 'General case' 0 CA--C 1.479 -1.759 0 CA-C-N 117.728 0.24 . . . . 0.0 110.875 -178.657 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -64.35 -43.03 95.84 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.432 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -69.29 -39.8 78.1 Favored 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 11.9 t -65.16 -61.73 1.96 Allowed 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 125.915 1.686 . . . . 0.0 110.937 -177.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 mt . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 115.969 1.841 . . . . 0.0 115.969 -172.95 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 . . . . . 0 N--CA 1.439 -1.019 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.18 166.47 26.73 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -77.54 117.72 19.26 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-O 121.178 0.513 . . . . 0.0 112.379 -173.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.592 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 53.5 t -77.58 137.41 38.57 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 173.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -93.29 -15.49 25.75 Favored 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.592 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 17.4 m120 -75.49 -43.71 47.74 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 113.838 -1.528 . . . . 0.0 111.675 -171.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.532 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 24.2 p -117.07 2.26 12.65 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.245 171.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 65.79 35.28 90.71 Favored Glycine 0 C--N 1.338 0.644 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.311 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.532 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 14.3 ttp180 -120.8 149.64 42.25 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -174.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -79.18 102.86 8.74 Favored 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 125.375 1.47 . . . . 0.0 107.407 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -124.01 145.01 31.81 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.383 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.756 -174.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.642 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 75.6 m -45.29 122.99 3.74 Favored 'General case' 0 C--O 1.214 -0.773 0 C-N-CA 125.896 1.678 . . . . 0.0 111.851 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.65 -46.62 77.44 Favored 'General case' 0 CA--C 1.5 -0.959 0 C-N-CA 124.326 1.05 . . . . 0.0 111.565 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.74 -23.04 62.36 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 122.012 0.91 . . . . 0.0 110.251 -177.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.642 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 15.0 tpp180 -99.3 -11.99 20.74 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.132 -173.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.544 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 24.8 tp -65.13 -19.97 66.24 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -173.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.75 -64.4 0.87 Allowed 'General case' 0 C--O 1.242 0.692 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 175.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.24 73.52 Favored 'General case' 0 C--O 1.251 1.18 0 CA-C-O 122.12 0.962 . . . . 0.0 109.607 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.544 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 35.7 t-80 -58.7 -47.39 84.7 Favored 'General case' 0 C--O 1.191 -1.985 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.297 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -37.83 88.36 Favored 'General case' 0 CA--C 1.486 -1.484 0 O-C-N 123.557 0.536 . . . . 0.0 110.855 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.79 -40.46 88.39 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.884 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -75.77 -44.14 42.98 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.056 0.455 . . . . 0.0 110.895 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.0 t -61.62 -30.19 70.54 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 124.804 1.242 . . . . 0.0 111.523 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.725 0 O-C-N 122.161 -0.337 . . . . 0.0 110.618 -177.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 CA--C 1.499 -1.014 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.402 ' HA ' HD12 ' A' ' 10' ' ' ILE . 11.2 tp -113.09 152.18 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.703 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 -177.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -81.08 123.16 28.16 Favored 'General case' 0 N--CA 1.424 -1.725 0 C-N-CA 118.53 -1.268 . . . . 0.0 108.545 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.474 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 39.9 t -71.3 141.87 50.48 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -87.15 -17.43 32.76 Favored 'General case' 0 C--N 1.278 -2.53 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.53 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 3.2 t30 -85.64 -41.58 15.08 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.855 -169.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.1 p -118.81 4.86 11.5 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.607 174.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 12' ' ' CYS . . . 61.47 35.56 91.24 Favored Glycine 0 N--CA 1.479 1.556 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.882 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' H ' ' HB3' ' A' ' 12' ' ' CYS . 23.2 ttt85 -121.12 148.88 43.6 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -171.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -75.39 97.78 3.72 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.075 1.75 . . . . 0.0 109.556 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 t -129.66 145.8 35.14 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.587 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.429 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 6.2 m -46.79 128.34 10.7 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.598 1.159 . . . . 0.0 111.633 -175.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.4 -42.12 77.42 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 124.936 1.294 . . . . 0.0 111.321 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -70.1 -25.41 63.49 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.598 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.429 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 24.7 mmt180 -99.76 -3.96 31.67 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.649 -172.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.56 HD13 HD23 ' A' ' 28' ' ' LEU . 1.1 tm? -59.84 -37.92 80.61 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 123.133 0.271 . . . . 0.0 110.375 -174.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.46 -62.18 1.97 Allowed 'General case' 0 C--N 1.315 -0.919 0 O-C-N 123.277 0.361 . . . . 0.0 111.916 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.57 79.22 Favored 'General case' 0 C--O 1.251 1.173 0 CA-C-O 121.995 0.902 . . . . 0.0 109.496 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -58.03 -45.0 87.66 Favored 'General case' 0 C--O 1.181 -2.506 0 CA-C-N 114.156 -1.384 . . . . 0.0 109.247 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.56 HD23 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -67.21 -36.24 81.29 Favored 'General case' 0 CA--C 1.48 -1.739 0 O-C-N 123.355 0.409 . . . . 0.0 110.901 -177.747 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -60.71 -41.0 94.36 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 119.137 -1.025 . . . . 0.0 110.11 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 ttp-105 -74.32 -44.99 50.21 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.552 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.53 ' SG ' ' HB3' ' A' ' 14' ' ' ASN . 25.1 t -57.43 -40.75 79.03 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 125.284 1.434 . . . . 0.0 110.342 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.437 -1.088 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.358 -174.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.554 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 35.0 m-85 . . . . . 0 N--CA 1.428 -1.563 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 10' ' ' ILE . 9.4 tp -124.89 154.08 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.768 0 N-CA-C 105.267 -2.123 . . . . 0.0 105.267 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -86.27 124.62 32.84 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 117.203 -1.799 . . . . 0.0 109.541 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 42.3 t -70.87 130.08 40.71 Favored 'General case' 0 CA--C 1.472 -2.044 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -99.97 8.17 44.25 Favored 'General case' 0 C--N 1.262 -3.197 0 CA-C-O 122.072 0.939 . . . . 0.0 110.188 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.436 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 16.3 m-80 -96.01 -16.91 21.36 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.215 -1.357 . . . . 0.0 111.192 176.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 27.2 p -146.32 -3.1 0.66 Allowed 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.786 0.327 . . . . 0.0 111.761 173.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.46 41.18 67.35 Favored Glycine 0 CA--C 1.506 -0.524 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.892 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.524 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 57.7 ttt180 -120.94 136.96 54.83 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.85 110.19 10.09 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 124.478 1.111 . . . . 0.0 108.813 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.7 t -137.53 141.95 38.02 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.542 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.071 -177.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.554 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 20.1 m -48.16 127.4 12.5 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.812 0.845 . . . . 0.0 110.468 176.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.54 -32.29 62.83 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.706 0.802 . . . . 0.0 111.054 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -76.4 -23.36 54.04 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.699 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -96.13 -10.37 28.41 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -175.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.48 HD13 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -58.88 -38.59 79.16 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.491 -172.194 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.42 -58.41 7.57 Favored 'General case' 0 C--O 1.249 1.054 0 C-N-CA 122.727 0.411 . . . . 0.0 111.718 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.28 91.87 Favored 'General case' 0 C--O 1.262 1.711 0 CA-C-O 121.855 0.836 . . . . 0.0 109.279 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -58.05 -45.39 87.11 Favored 'General case' 0 C--O 1.201 -1.477 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.885 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.48 HD23 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.71 -30.36 69.0 Favored 'General case' 0 C--O 1.193 -1.916 0 O-C-N 123.311 0.382 . . . . 0.0 110.833 -177.1 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -63.64 -41.38 98.26 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.672 174.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -71.72 -41.22 68.8 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.623 0.725 . . . . 0.0 109.331 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 11.6 t -68.63 -24.25 64.53 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 125.001 1.32 . . . . 0.0 111.531 -178.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -177.31 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 91.3 m-85 . . . . . 0 N--CA 1.423 -1.795 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 10' ' ' ILE . 9.9 tp -118.46 148.0 21.6 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.065 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -75.28 115.26 14.73 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.624 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 51.5 t -71.54 134.63 46.61 Favored 'General case' 0 N--CA 1.413 -2.294 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 176.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.502 ' H ' ' CD ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -97.58 -8.2 29.54 Favored 'General case' 0 C--N 1.26 -3.323 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -178.155 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.624 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 23.3 m-80 -82.25 -38.54 24.32 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 113.578 -1.647 . . . . 0.0 111.499 -177.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.513 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.8 p -126.31 -0.96 6.99 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.423 173.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.74 37.22 76.06 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.503 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.513 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 6.6 ttp180 -121.39 152.94 38.45 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -176.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -86.19 101.48 13.05 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 125.108 1.363 . . . . 0.0 108.888 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -129.93 145.77 35.15 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.019 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.727 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 45.6 m -58.3 130.3 46.07 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 123.474 0.71 . . . . 0.0 111.107 -177.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.72 -25.14 66.22 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 123.451 0.7 . . . . 0.0 110.677 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -77.06 -17.47 58.73 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.66 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -116.23 -2.09 12.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.814 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.486 HD13 HD23 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -59.01 -39.31 81.5 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.776 -170.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -59.23 -55.27 37.06 Favored 'General case' 0 C--O 1.248 0.974 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.6 -36.98 83.93 Favored 'General case' 0 C--O 1.276 2.463 0 CA-C-O 121.852 0.834 . . . . 0.0 109.55 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -55.52 -49.56 72.28 Favored 'General case' 0 C--O 1.199 -1.568 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.106 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.534 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -64.47 -33.32 75.61 Favored 'General case' 0 CA--C 1.493 -1.226 0 O-C-N 123.708 0.63 . . . . 0.0 110.918 -177.664 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 30.3 mm-40 -59.11 -45.3 91.25 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -74.38 -43.77 55.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.439 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.534 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 32.0 t -53.53 -46.45 70.16 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 125.075 1.35 . . . . 0.0 110.802 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.442 -0.831 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.31 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 75.3 m-85 . . . . . 0 N--CA 1.434 -1.268 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 10' ' ' ILE . 11.3 tp -144.48 150.38 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.331 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 178.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -71.98 130.17 40.34 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 118.441 -1.304 . . . . 0.0 109.739 176.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.574 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 38.3 t -71.67 138.58 48.73 Favored 'General case' 0 N--CA 1.416 -2.16 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 175.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -86.31 -14.36 43.86 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.574 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 11.0 m120 -84.2 -49.99 8.3 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.434 -1.257 . . . . 0.0 112.589 -175.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.5 p -114.82 8.73 16.11 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.457 175.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.41 33.08 85.19 Favored Glycine 0 N--CA 1.468 0.808 0 C-N-CA 121.583 -0.341 . . . . 0.0 112.572 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 11.1 ttp180 -120.44 133.05 55.48 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -172.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.92 104.62 0.72 Allowed 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 125.427 1.491 . . . . 0.0 109.683 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -134.77 151.3 31.14 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.851 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.2 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 44.1 t -56.91 130.45 45.94 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 120.911 0.386 . . . . 0.0 110.563 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.47 -12.82 61.96 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.62 0.724 . . . . 0.0 110.431 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -93.35 -9.91 37.16 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.869 0.842 . . . . 0.0 109.634 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -115.0 -6.19 12.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.236 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -58.35 -37.91 76.13 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 124.106 0.962 . . . . 0.0 112.609 -170.727 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.21 -58.57 6.76 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.08 75.38 Favored 'General case' 0 C--O 1.272 2.256 0 CA-C-O 122.19 0.995 . . . . 0.0 109.233 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -58.37 -46.66 85.89 Favored 'General case' 0 C--O 1.187 -2.193 0 CA-C-N 113.779 -1.555 . . . . 0.0 108.997 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.438 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -61.66 -38.14 86.66 Favored 'General case' 0 CA--C 1.482 -1.669 0 O-C-N 123.622 0.576 . . . . 0.0 110.846 -178.892 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.33 -40.81 95.59 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 119.162 -1.015 . . . . 0.0 110.747 175.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -73.55 -40.48 63.93 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.1 t -62.7 -39.55 94.35 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 125.801 1.641 . . . . 0.0 110.508 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.439 -1.014 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 32.0 m-85 . . . . . 0 N--CA 1.414 -2.264 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 10' ' ' ILE . 9.5 tp -112.49 154.67 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.927 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -76.29 115.3 15.89 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.302 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 53.7 t -79.65 129.63 34.65 Favored 'General case' 0 N--CA 1.414 -2.244 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 172.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -13.0 28.97 Favored 'General case' 0 C--N 1.268 -2.943 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.485 ' OD1' HD11 ' A' ' 28' ' ' LEU . 3.8 m120 -75.34 -37.47 60.67 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 114.032 -1.44 . . . . 0.0 113.016 -175.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.2 p -123.88 0.03 8.54 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.637 170.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.09 41.04 92.97 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.958 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 79.2 ttt180 -120.71 153.5 36.87 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -174.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -99.34 99.01 9.89 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -175.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.3 t -125.65 146.79 30.79 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.172 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 -171.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 6.1 m -49.43 122.16 5.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.547 1.139 . . . . 0.0 110.534 -178.205 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.32 -30.27 59.89 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.172 0.989 . . . . 0.0 112.546 -175.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -80.14 -18.09 50.74 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.39 0.614 . . . . 0.0 111.057 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -108.28 2.0 22.36 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.602 -177.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.504 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -65.13 -36.02 82.95 Favored 'General case' 0 C--O 1.205 -1.286 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.371 -174.418 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -53.12 -61.68 2.14 Favored 'General case' 0 C--O 1.251 1.135 0 C-N-CA 122.901 0.48 . . . . 0.0 112.231 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.21 -35.07 79.47 Favored 'General case' 0 C--O 1.25 1.129 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 71.8 t60 -54.03 -52.12 61.85 Favored 'General case' 0 C--O 1.196 -1.738 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.309 174.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.504 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -63.74 -34.56 78.15 Favored 'General case' 0 CA--C 1.482 -1.658 0 O-C-N 123.75 0.656 . . . . 0.0 110.964 -177.088 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 22.9 mm-40 -59.95 -46.34 89.72 Favored 'General case' 0 C--O 1.203 -1.371 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.05 178.085 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -74.7 -41.84 59.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.9 0.381 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.501 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 37.2 t -51.98 -53.95 35.5 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 125.284 1.434 . . . . 0.0 110.33 177.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 32' ' ' LEU . 14.9 mt . . . . . 0 N--CA 1.44 -0.925 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 . . . . . 0 N--CA 1.429 -1.475 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 tp -130.13 154.87 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.393 -3.312 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -71.85 120.39 17.38 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' H ' ' A' ' 17' ' ' ARG . 35.3 t -70.87 128.09 34.83 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 175.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -83.22 -5.91 59.29 Favored 'General case' 0 C--N 1.277 -2.568 0 O-C-N 123.743 0.652 . . . . 0.0 109.646 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -93.08 -57.04 2.75 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.668 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 28.3 p -103.87 1.7 31.75 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.998 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.54 37.6 89.82 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.524 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.571 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 25.1 ttp180 -121.37 140.27 52.34 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -78.95 103.06 8.64 Favored 'General case' 0 CA--C 1.498 -1.026 0 C-N-CA 124.442 1.097 . . . . 0.0 108.529 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.413 ' CG2' ' HG2' ' A' ' 17' ' ' ARG . 43.8 t -132.42 149.56 32.41 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.364 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.874 -176.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -49.77 119.94 3.9 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.618 0.767 . . . . 0.0 111.911 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.02 73.11 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 124.864 1.266 . . . . 0.0 110.778 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -62.29 -26.72 68.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.95 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.22 15.7 15.92 Favored 'General case' 0 N--CA 1.428 -1.553 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.43 -174.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.462 HD13 HD23 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -66.5 -36.44 82.72 Favored 'General case' 0 C--O 1.198 -1.615 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -174.446 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.48 -48.72 78.38 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 120.666 0.269 . . . . 0.0 111.362 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.5 -42.23 95.97 Favored 'General case' 0 C--O 1.25 1.093 0 CA-C-O 121.984 0.897 . . . . 0.0 108.813 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -60.32 -43.43 96.4 Favored 'General case' 0 C--O 1.174 -2.9 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.822 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' HA ' HD22 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -67.5 -31.85 72.25 Favored 'General case' 0 CA--C 1.482 -1.647 0 CA-C-N 117.952 0.342 . . . . 0.0 111.152 -177.793 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -67.12 -37.44 83.88 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 119.019 -1.072 . . . . 0.0 109.615 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -70.44 -45.83 65.06 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 176.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 29.7 t -60.43 -42.07 95.33 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 126.408 1.883 . . . . 0.0 110.647 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.429 -1.504 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.719 -175.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 . . . . . 0 CA--C 1.499 -1.0 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 10' ' ' ILE . 8.9 tp -136.3 152.71 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.171 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -80.38 114.55 19.36 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 50.4 t -71.62 135.2 46.84 Favored 'General case' 0 N--CA 1.42 -1.944 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 177.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -92.4 -12.33 32.52 Favored 'General case' 0 C--N 1.269 -2.904 0 CA-C-O 122.116 0.96 . . . . 0.0 108.508 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.499 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 19.8 m120 -87.64 -14.29 40.38 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.107 -1.406 . . . . 0.0 112.136 -173.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.3 p -147.37 2.32 0.74 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 171.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 63.45 36.86 93.94 Favored Glycine 0 C--O 1.22 -0.761 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.694 -177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 20.3 tpp180 -119.96 147.38 44.84 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 -174.03 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -84.36 105.84 15.5 Favored 'General case' 0 CA--C 1.488 -1.41 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 51.4 t -129.0 149.68 33.92 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.19 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.355 -174.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 m -53.35 126.98 23.11 Favored 'General case' 0 N--CA 1.428 -1.568 0 C-N-CA 123.746 0.818 . . . . 0.0 111.323 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.65 88.04 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 124.666 1.186 . . . . 0.0 110.996 -177.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -62.97 -26.88 69.05 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.828 0.823 . . . . 0.0 110.684 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -98.31 -6.7 30.39 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.409 -174.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.54 HD13 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -58.1 -39.23 78.11 Favored 'General case' 0 C--O 1.206 -1.197 0 O-C-N 123.353 0.408 . . . . 0.0 111.487 -172.11 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.06 -58.88 6.03 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-O 121.029 0.442 . . . . 0.0 111.771 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.9 83.3 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-O 121.837 0.827 . . . . 0.0 109.396 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -57.65 -44.59 85.75 Favored 'General case' 0 C--O 1.187 -2.195 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.422 175.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.54 HD23 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -67.19 -34.83 78.35 Favored 'General case' 0 CA--C 1.477 -1.85 0 O-C-N 123.401 0.438 . . . . 0.0 110.591 -177.67 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -59.81 -43.48 94.49 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -72.31 -45.22 60.93 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.477 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 18.4 t -58.16 -44.37 87.89 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.474 1.51 . . . . 0.0 110.695 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.688 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -176.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.6 OUTLIER . . . . . 0 CA--C 1.5 -0.974 0 CA-C-O 120.921 0.391 . . . . 0.0 110.103 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.8 tp -126.42 160.29 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.911 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -80.03 115.42 19.59 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 53.8 t -71.49 133.73 46.05 Favored 'General case' 0 N--CA 1.421 -1.878 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 175.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.02 2.03 45.89 Favored 'General case' 0 C--N 1.27 -2.851 0 CA-C-O 122.472 1.13 . . . . 0.0 108.98 -176.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.626 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 35.5 m-80 -93.22 -56.15 3.06 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.838 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -103.41 -6.47 21.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.463 174.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.61 35.71 50.66 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.715 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -120.94 152.24 38.74 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.835 -175.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.75 104.13 11.92 Favored 'General case' 0 CA--C 1.495 -1.146 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.1 t -129.88 144.94 36.53 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.877 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.536 -175.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 47.5 t -53.54 131.63 38.85 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.459 0.704 . . . . 0.0 110.651 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.21 -30.22 68.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.637 0.732 . . . . 0.0 109.854 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -71.34 -27.06 63.1 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.601 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -93.18 -27.19 17.04 Favored 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.009 -176.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.463 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -43.64 -43.98 6.1 Favored 'General case' 0 C--O 1.196 -1.712 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -173.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.56 -59.38 5.54 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-O 121.084 0.469 . . . . 0.0 111.821 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.78 78.98 Favored 'General case' 0 C--O 1.257 1.458 0 CA-C-O 122.355 1.074 . . . . 0.0 109.494 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.463 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 70.9 t60 -60.88 -43.02 99.01 Favored 'General case' 0 C--O 1.188 -2.166 0 CA-C-N 114.264 -1.334 . . . . 0.0 110.028 175.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.51 -35.31 80.53 Favored 'General case' 0 CA--C 1.475 -1.907 0 CA-C-N 117.92 0.327 . . . . 0.0 110.469 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -57.67 -45.81 85.09 Favored 'General case' 0 N--CA 1.444 -0.755 0 O-C-N 123.999 0.812 . . . . 0.0 108.86 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -72.04 -45.77 59.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.103 0.478 . . . . 0.0 110.247 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.2 t -57.39 -43.92 84.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.094 1.357 . . . . 0.0 110.099 -177.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.8 mt . . . . . 0 C--O 1.235 0.327 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.728 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 CA--C 1.5 -0.945 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 10' ' ' ILE . 9.7 tp -139.5 155.44 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.643 0 N-CA-C 105.901 -1.889 . . . . 0.0 105.901 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -79.63 128.57 33.56 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 117.998 -1.481 . . . . 0.0 109.94 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 41.7 t -71.95 130.28 40.6 Favored 'General case' 0 N--CA 1.407 -2.607 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 173.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -92.26 -0.05 57.43 Favored 'General case' 0 C--N 1.263 -3.194 0 CA-C-O 121.671 0.748 . . . . 0.0 109.412 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.6 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 16.4 m120 -93.55 -57.2 2.65 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.772 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 p -97.93 -14.26 20.74 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 120.201 -0.599 . . . . 0.0 111.528 174.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.87 38.05 17.3 Favored Glycine 0 CA--C 1.505 -0.555 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.561 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -121.33 140.91 51.47 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -75.3 104.34 5.83 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 177.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.0 t -128.83 153.64 38.66 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.649 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.343 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 17.2 m -56.42 123.84 16.08 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 123.692 0.797 . . . . 0.0 111.065 -179.114 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.78 -36.48 72.21 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 124.717 1.207 . . . . 0.0 112.254 -175.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -75.31 -19.41 59.67 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.589 0.709 . . . . 0.0 110.671 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.413 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 75.2 mtp180 -106.87 3.66 26.54 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.485 -174.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -66.78 -35.34 79.85 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.141 -173.367 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.92 -55.88 28.66 Favored 'General case' 0 C--O 1.254 1.321 0 C-N-CA 122.533 0.333 . . . . 0.0 111.84 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.1 93.42 Favored 'General case' 0 C--O 1.258 1.525 0 CA-C-O 122.133 0.968 . . . . 0.0 108.947 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -57.88 -44.62 86.8 Favored 'General case' 0 C--O 1.19 -2.045 0 CA-C-N 113.801 -1.545 . . . . 0.0 109.499 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -64.05 -35.94 82.36 Favored 'General case' 0 CA--C 1.475 -1.925 0 O-C-N 123.096 0.248 . . . . 0.0 111.135 -179.286 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -62.22 -40.09 94.97 Favored 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.389 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -72.41 -43.01 64.48 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.784 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 t -59.58 -45.69 91.12 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 125.504 1.522 . . . . 0.0 109.654 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.546 0.796 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.857 -177.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 1.4 m-85 . . . . . 0 N--CA 1.431 -1.391 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.5 tp -126.27 154.83 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.555 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -76.74 110.16 11.1 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.035 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 48.3 t -71.52 136.22 47.44 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 175.18 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -101.62 0.69 36.71 Favored 'General case' 0 C--N 1.279 -2.483 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.55 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 14.4 m120 -89.13 -39.14 13.8 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.147 -177.351 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.1 p -121.93 0.31 9.69 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.02 0.438 . . . . 0.0 110.211 172.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.91 37.01 91.9 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.171 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 1.6 tpm_? -119.92 143.17 48.12 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -174.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -79.82 101.79 8.71 Favored 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.3 t -128.26 149.23 32.93 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.466 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.591 -175.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 11.8 m -45.5 119.12 2.0 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.589 1.155 . . . . 0.0 111.834 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.61 -48.79 71.78 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 126.035 1.734 . . . . 0.0 112.451 -173.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -73.81 -14.28 61.07 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.382 -175.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -114.56 9.61 16.65 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-O 121.626 0.727 . . . . 0.0 109.598 -175.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.497 HD13 HD23 ' A' ' 28' ' ' LEU . 1.3 tm? -62.81 -34.21 76.83 Favored 'General case' 0 C--O 1.206 -1.201 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.876 -175.067 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.56 -58.77 5.97 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.53 0.732 . . . . 0.0 112.287 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.91 89.22 Favored 'General case' 0 C--O 1.286 3.013 0 CA-C-O 122.215 1.007 . . . . 0.0 109.507 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -56.48 -47.1 79.95 Favored 'General case' 0 C--O 1.192 -1.947 0 CA-C-N 113.601 -1.636 . . . . 0.0 109.293 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.516 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -64.95 -35.92 82.74 Favored 'General case' 0 CA--C 1.478 -1.799 0 O-C-N 123.699 0.624 . . . . 0.0 111.24 -177.405 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -57.65 -44.98 86.06 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 123.577 0.548 . . . . 0.0 109.603 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -77.04 -38.07 53.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.999 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.516 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 45.7 t -60.56 -40.2 90.76 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 124.775 1.23 . . . . 0.0 110.742 178.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.432 -1.359 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.195 -177.091 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.428 -1.571 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.516 HG23 HD22 ' A' ' 24' ' ' LEU . 10.3 tp -126.45 153.3 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.087 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -75.71 127.12 32.36 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.738 -0.785 . . . . 0.0 110.505 -178.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 46.5 t -75.02 125.92 29.92 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 170.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -92.3 4.85 52.48 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-O 121.972 0.891 . . . . 0.0 109.472 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.612 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 11.7 m120 -93.59 -36.43 12.39 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.911 179.269 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.8 p -131.2 11.92 5.04 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.239 175.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 57.96 43.02 95.14 Favored Glycine 0 C--N 1.348 1.234 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.42 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 78.0 ttt180 -121.16 139.6 53.14 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 115.492 -0.354 . . . . 0.0 111.895 -172.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -84.34 104.1 14.08 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 123.871 0.869 . . . . 0.0 108.933 -176.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.7 t -129.65 144.13 39.02 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.595 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.505 -176.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 t -45.98 130.76 9.87 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 124.37 1.068 . . . . 0.0 109.485 174.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.26 -25.35 67.79 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.372 0.606 . . . . 0.0 110.164 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -72.4 -39.24 68.1 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.274 178.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -88.24 -24.14 23.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.781 -174.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.516 HD22 HG23 ' A' ' 10' ' ' ILE . 37.7 tp -58.67 -22.53 57.2 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -173.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -65.41 -60.81 2.56 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-O 121.028 0.442 . . . . 0.0 110.978 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.66 -33.3 75.35 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-O 121.926 0.869 . . . . 0.0 108.87 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.516 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 19.1 t-80 -59.11 -45.88 89.75 Favored 'General case' 0 C--O 1.196 -1.738 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.58 175.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.412 HD11 ' OD1' ' A' ' 14' ' ' ASN . 0.7 OUTLIER -62.92 -37.47 87.12 Favored 'General case' 0 CA--C 1.471 -2.091 0 CA-C-N 117.936 0.335 . . . . 0.0 110.865 178.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 26.8 mm-40 -58.25 -42.62 86.81 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 123.768 0.668 . . . . 0.0 109.753 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -79.61 -42.36 25.08 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.525 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.0 t -54.26 -44.16 71.58 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.487 1.115 . . . . 0.0 110.028 177.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 N--CA 1.447 -0.576 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.873 178.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 . . . . . 0 N--CA 1.433 -1.306 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 10' ' ' ILE . 9.1 tp -130.25 159.93 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.068 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -87.38 117.11 25.93 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.647 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 42.6 t -73.26 127.77 33.57 Favored 'General case' 0 N--CA 1.424 -1.759 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 175.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -85.43 -15.56 42.59 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.573 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 29.8 m-80 -84.4 -22.81 30.31 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 113.906 -1.497 . . . . 0.0 113.183 -172.294 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 24.9 p -140.69 1.25 1.7 Allowed 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.326 173.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.84 42.94 96.77 Favored Glycine 0 C--O 1.219 -0.794 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -176.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 77.9 ttt180 -121.51 149.89 42.42 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 120.196 -0.602 . . . . 0.0 111.817 -174.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -86.56 106.88 17.85 Favored 'General case' 0 CA--C 1.488 -1.411 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.3 t -132.14 143.19 40.8 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.799 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.422 -176.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 m -46.36 121.42 3.38 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 124.273 1.029 . . . . 0.0 111.227 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.23 -38.43 79.97 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 124.548 1.139 . . . . 0.0 112.157 -175.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -67.0 -22.08 65.92 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.405 0.621 . . . . 0.0 111.494 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 ttp85 -112.73 11.85 19.53 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.14 -175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.539 HD13 HD23 ' A' ' 28' ' ' LEU . 1.4 tm? -68.3 -41.69 80.53 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 121.831 -0.543 . . . . 0.0 111.31 -174.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -62.52 -44.07 97.26 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 111.516 0.191 . . . . 0.0 111.516 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.83 -40.62 88.03 Favored 'General case' 0 C--O 1.261 1.695 0 CA-C-O 122.278 1.037 . . . . 0.0 108.7 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -59.92 -41.64 92.18 Favored 'General case' 0 C--O 1.191 -2.001 0 CA-C-N 114.104 -1.407 . . . . 0.0 109.657 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.539 HD23 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -65.91 -32.01 73.28 Favored 'General case' 0 CA--C 1.486 -1.484 0 C-N-CA 122.547 0.339 . . . . 0.0 110.924 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 25.7 mm-40 -62.55 -45.71 91.68 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 174.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -67.32 -42.7 83.19 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.994 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.5 t -61.94 -40.79 96.72 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 124.521 1.128 . . . . 0.0 110.059 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.934 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.37 -50.92 0.07 Allowed 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -86.38 -0.7 56.5 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.473 0.654 . . . . 0.0 111.266 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -81.36 96.55 7.37 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.083 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -74.72 139.39 43.4 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 m -84.1 83.05 8.1 Favored 'General case' 0 N--CA 1.418 -2.072 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.6 m -74.11 -31.47 62.8 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.196 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 57.07 103.03 0.02 OUTLIER 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 125.627 1.571 . . . . 0.0 112.127 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -86.9 123.89 32.52 Favored 'General case' 0 C--N 1.282 -2.347 0 C-N-CA 118.068 -1.453 . . . . 0.0 109.876 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.5 pt -120.66 167.78 13.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -83.08 112.8 20.13 Favored 'General case' 0 C--N 1.276 -2.624 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.14 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 43.2 t -72.27 138.24 47.3 Favored 'General case' 0 N--CA 1.421 -1.915 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 174.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.464 ' H ' ' CD ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -95.94 -9.94 29.95 Favored 'General case' 0 C--N 1.271 -2.829 0 CA-C-O 122.069 0.938 . . . . 0.0 108.524 -177.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.444 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 15.7 m-80 -84.92 -37.38 20.62 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 114.46 -1.245 . . . . 0.0 112.529 -176.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.5 p -124.6 -3.68 7.79 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.177 0.513 . . . . 0.0 110.898 173.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.17 36.58 60.14 Favored Glycine 0 C--O 1.222 -0.622 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.193 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.571 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 7.9 tpt180 -119.38 144.67 46.77 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -175.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.73 102.13 1.46 Allowed 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 126.848 2.059 . . . . 0.0 108.146 172.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.453 HG11 ' CG ' ' A' ' 27' ' ' HIS . 49.1 t -133.15 151.33 33.8 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.842 -177.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m -61.81 126.61 27.97 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.67 -24.88 67.97 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 124.271 1.028 . . . . 0.0 109.219 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -78.4 -7.83 57.8 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.297 -1.32 . . . . 0.0 110.374 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -131.7 8.25 4.51 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.979 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.445 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -65.34 -37.31 86.67 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.044 -170.496 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.29 -50.19 66.66 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.36 94.11 Favored 'General case' 0 C--O 1.272 2.276 0 CA-C-O 122.721 1.248 . . . . 0.0 108.716 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.453 ' CG ' HG11 ' A' ' 19' ' ' VAL . 67.7 t60 -58.44 -44.73 89.27 Favored 'General case' 0 C--O 1.187 -2.185 0 CA-C-N 113.235 -1.802 . . . . 0.0 109.086 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -63.55 -35.29 80.01 Favored 'General case' 0 CA--C 1.483 -1.605 0 O-C-N 123.472 0.483 . . . . 0.0 111.331 -178.662 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.36 -48.28 81.11 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 174.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -69.31 -41.6 76.53 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.127 0.489 . . . . 0.0 110.027 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.469 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 33.6 t -62.21 -48.13 81.39 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 125.057 1.343 . . . . 0.0 111.371 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -74.02 -34.68 64.23 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 -176.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -61.58 -46.43 89.92 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -76.26 -36.12 58.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.983 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.89 48.89 4.14 Favored Glycine 0 N--CA 1.436 -1.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 113.59 -176.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.11 92.1 7.82 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 174.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -89.56 137.47 32.3 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.672 -174.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 . . . . . 0 C--N 1.292 -1.925 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.617 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -86.26 110.57 19.72 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 66.99 -169.4 0.2 Allowed 'General case' 0 C--O 1.244 0.772 0 O-C-N 124.667 1.229 . . . . 0.0 111.611 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -85.49 160.58 19.66 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.97 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 72.08 -47.19 0.66 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.047 1.739 . . . . 0.0 112.531 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 t -62.58 111.23 1.98 Allowed 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 123.798 0.839 . . . . 0.0 110.662 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.5 t 68.32 16.61 9.28 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.246 1.418 . . . . 0.0 110.819 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -100.16 0.22 40.13 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -87.13 138.86 31.13 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 119.304 -0.958 . . . . 0.0 110.772 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.03 166.76 27.8 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 108.264 -1.014 . . . . 0.0 108.264 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -73.07 114.81 11.65 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.309 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 50.4 t -71.18 129.59 39.31 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 174.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -87.52 -6.8 58.2 Favored 'General case' 0 C--N 1.269 -2.901 0 CA-C-O 122.294 1.045 . . . . 0.0 108.521 -176.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.47 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 39.8 m-80 -98.13 -16.75 19.4 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.072 -1.422 . . . . 0.0 113.413 -175.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.5 p -148.1 2.29 0.67 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.677 173.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.85 35.94 90.36 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.405 -178.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.476 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 74.2 ttt180 -119.15 149.02 42.42 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.133 -174.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -80.88 105.05 11.81 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 124.84 1.256 . . . . 0.0 107.876 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.33 145.67 34.25 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.359 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.195 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.45 ' HB3' ' HB2' ' A' ' 23' ' ' ARG . 30.1 t -58.85 126.74 28.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.507 0.723 . . . . 0.0 109.492 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.37 70.39 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 123.832 0.853 . . . . 0.0 111.219 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -76.13 -29.02 57.67 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.378 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.45 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 1.2 mpt_? -101.58 2.38 38.89 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.924 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.469 HD13 HD23 ' A' ' 28' ' ' LEU . 1.2 tm? -62.82 -36.18 82.35 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.222 -173.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -57.03 -54.18 49.71 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 123.401 0.438 . . . . 0.0 112.147 178.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.75 95.23 Favored 'General case' 0 C--O 1.27 2.178 0 CA-C-O 122.153 0.978 . . . . 0.0 109.111 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -59.34 -45.35 91.62 Favored 'General case' 0 C--O 1.189 -2.129 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.079 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.471 HD13 HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -67.85 -28.69 67.76 Favored 'General case' 0 CA--C 1.488 -1.404 0 C-N-CA 122.535 0.334 . . . . 0.0 111.256 -178.077 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 29.8 mm-40 -63.28 -45.61 90.63 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HE ' ' HB2' ' A' ' 30' ' ' ARG . 15.2 ttm180 -74.96 -38.71 61.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.66 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 13.0 t -60.02 -37.8 80.8 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 124.801 1.24 . . . . 0.0 109.914 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.471 HD23 HD13 ' A' ' 28' ' ' LEU . 3.3 mm? -103.02 -6.97 21.8 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -177.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 t -80.76 1.76 29.01 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 172.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -130.84 166.48 20.76 Favored 'General case' 0 N--CA 1.432 -1.364 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.21 -92.64 0.16 Allowed Glycine 0 N--CA 1.437 -1.3 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.515 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.38 -51.05 71.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.344 0.592 . . . . 0.0 110.099 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -162.96 -52.03 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 176.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 . . . . . 0 C--N 1.295 -1.767 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 171.703 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.051 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.59 161.69 35.17 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 117.286 0.543 . . . . 0.0 110.189 175.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -70.79 -28.39 64.62 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 123.62 0.575 . . . . 0.0 111.65 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -83.58 150.63 25.81 Favored 'General case' 0 C--O 1.253 1.24 0 CA-C-O 120.606 0.241 . . . . 0.0 111.559 177.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 78.52 13.48 1.43 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.753 1.621 . . . . 0.0 111.061 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 p -81.57 -30.99 32.82 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.567 ' HA ' ' CE2' ' A' ' 9' ' ' TYR . 22.8 t -90.44 74.68 6.86 Favored 'General case' 0 N--CA 1.409 -2.522 0 CA-C-N 114.518 -1.219 . . . . 0.0 107.781 177.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -135.1 66.49 1.52 Allowed 'General case' 0 N--CA 1.427 -1.615 0 N-CA-C 105.723 -1.954 . . . . 0.0 105.723 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.567 ' CE2' ' HA ' ' A' ' 7' ' ' SER . 81.4 m-85 -103.26 151.16 22.99 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 114.359 -1.291 . . . . 0.0 110.541 -174.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 10' ' ' ILE . 11.0 tp -129.9 151.44 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.641 0 N-CA-C 105.423 -2.065 . . . . 0.0 105.423 176.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -80.49 128.7 33.89 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 118.47 -1.292 . . . . 0.0 109.604 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 51.1 t -80.48 140.99 35.63 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 174.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.15 -10.08 24.74 Favored 'General case' 0 C--N 1.274 -2.689 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.475 ' HA ' ' NH2' ' A' ' 37' ' ' ARG . 15.0 m-80 -83.06 -20.45 34.95 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 113.909 -1.496 . . . . 0.0 113.051 -177.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 37' ' ' ARG . 24.6 p -140.7 4.17 1.91 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.253 0.549 . . . . 0.0 110.549 170.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 59.91 38.59 94.33 Favored Glycine 0 CA--C 1.505 -0.573 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.053 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -120.65 142.52 49.37 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.728 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -76.21 100.63 5.11 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 125.942 1.697 . . . . 0.0 107.807 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.84 152.88 38.02 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.404 ' HB3' ' HB2' ' A' ' 23' ' ' ARG . 39.5 t -54.92 127.66 29.79 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 122.974 0.51 . . . . 0.0 110.823 -176.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.6 -27.96 69.56 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.816 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -83.09 -20.32 35.11 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.945 0.879 . . . . 0.0 110.724 -178.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.404 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 98.4 mtt180 -107.79 4.02 25.12 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.652 -176.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.512 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -70.45 -37.63 74.37 Favored 'General case' 0 C--O 1.21 -1.017 0 O-C-N 123.55 0.531 . . . . 0.0 111.661 -171.405 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.58 68.36 Favored 'General case' 0 C--O 1.258 1.529 0 CA-C-O 121.393 0.616 . . . . 0.0 111.072 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.04 89.6 Favored 'General case' 0 C--O 1.251 1.153 0 CA-C-O 122.199 0.999 . . . . 0.0 108.786 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.512 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 69.3 t60 -58.68 -43.85 90.07 Favored 'General case' 0 C--O 1.179 -2.636 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.637 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -65.44 -36.14 83.02 Favored 'General case' 0 CA--C 1.481 -1.681 0 CA-C-N 117.96 0.346 . . . . 0.0 110.491 -179.101 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -59.04 -42.4 90.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -74.04 -44.43 54.35 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.827 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.9 t -57.07 -45.56 83.19 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 125.434 1.494 . . . . 0.0 109.702 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.33 -46.29 28.27 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.488 -177.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.8 t -61.54 -25.62 67.41 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -89.46 -16.39 30.95 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 122.175 -0.328 . . . . 0.0 111.7 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.94 29.01 69.59 Favored Glycine 0 C--O 1.242 0.627 0 O-C-N 123.469 0.481 . . . . 0.0 112.538 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.73 113.8 25.48 Favored 'General case' 0 N--CA 1.428 -1.572 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.475 ' NH2' ' HA ' ' A' ' 14' ' ' ASN . 65.3 mtp85 -98.26 4.39 48.79 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.743 0.782 . . . . 0.0 110.082 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 . . . . . 0 C--N 1.313 -1.013 0 C-N-CA 127.609 2.364 . . . . 0.0 104.957 173.172 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.52 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -89.59 103.07 15.75 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -159.52 39.31 0.2 Allowed 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -175.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.6 pt20 -82.19 166.85 19.26 Favored 'General case' 0 C--O 1.25 1.11 0 CA-C-O 122.155 0.979 . . . . 0.0 112.134 -174.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.79 136.53 47.37 Favored 'General case' 0 C--N 1.277 -2.57 0 CA-C-N 114.03 -1.441 . . . . 0.0 107.972 173.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m 62.31 -162.58 0.28 Allowed 'General case' 0 CA--C 1.559 1.308 0 O-C-N 123.908 0.755 . . . . 0.0 111.95 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.4 m -144.75 -49.53 0.26 Allowed 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 122.948 0.499 . . . . 0.0 109.87 176.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 20' ' ' SER . 96.7 mt-30 -92.94 -3.11 55.09 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.236 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -116.05 150.6 37.03 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 10' ' ' ILE . 10.6 tp -138.22 161.55 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.213 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -74.51 117.87 16.82 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.008 0.432 . . . . 0.0 110.97 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.562 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 51.2 t -75.6 134.06 40.76 Favored 'General case' 0 N--CA 1.429 -1.511 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 174.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -84.95 -15.74 43.34 Favored 'General case' 0 C--N 1.276 -2.603 0 CA-C-O 122.101 0.953 . . . . 0.0 109.054 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.562 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 13.2 m120 -86.72 -43.26 12.71 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.203 -1.362 . . . . 0.0 113.486 -171.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 21.7 p -118.26 5.33 11.9 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.842 173.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.54 38.29 95.57 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 78.9 ttt180 -120.2 154.0 35.47 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.542 -171.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -82.18 98.55 8.78 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 125.473 1.509 . . . . 0.0 107.666 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.9 t -126.99 147.62 31.89 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.505 ' HB3' ' HB3' ' A' ' 23' ' ' ARG . 28.2 t -46.17 128.44 9.52 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 124.469 1.108 . . . . 0.0 111.5 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.96 93.79 Favored 'General case' 0 C--N 1.31 -1.122 0 C-N-CA 124.335 1.054 . . . . 0.0 110.177 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -72.1 -29.35 64.0 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.034 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.505 ' HB3' ' HB3' ' A' ' 20' ' ' SER . 39.5 ttm180 -101.17 -1.44 33.87 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.329 0.585 . . . . 0.0 111.786 -175.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.49 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 29.5 tp -66.22 -19.94 65.97 Favored 'General case' 0 C--O 1.209 -1.078 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -176.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.13 -51.73 20.02 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.793 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.76 -37.06 83.86 Favored 'General case' 0 C--O 1.273 2.326 0 CA-C-O 122.102 0.953 . . . . 0.0 109.137 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.49 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 61.9 t60 -57.56 -47.3 82.45 Favored 'General case' 0 C--O 1.198 -1.624 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.847 174.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -62.62 -36.68 83.54 Favored 'General case' 0 CA--C 1.479 -1.753 0 O-C-N 123.855 0.722 . . . . 0.0 110.991 -178.716 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -58.59 -43.67 89.6 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.562 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -76.44 -45.2 32.44 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.457 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 t -54.34 -42.22 69.99 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.54 1.136 . . . . 0.0 110.858 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.23 -41.74 24.56 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -177.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.3 p -64.53 -48.96 73.14 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.74 29.15 1.24 Allowed 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -173.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.02 -23.83 70.75 Favored Glycine 0 C--N 1.316 -0.532 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.468 177.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.73 79.3 1.22 Allowed 'General case' 0 C--O 1.248 1.019 0 CA-C-O 121.861 0.838 . . . . 0.0 110.735 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -111.69 -61.1 1.76 Allowed 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 1.3 mmp_? . . . . . 0 C--N 1.306 -1.3 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.871 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -117.04 143.64 45.52 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 140.58 45.89 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 175.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -111.36 140.53 45.87 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -177.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.2 -26.85 68.01 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 123.373 0.421 . . . . 0.0 111.645 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m 72.85 -46.85 0.66 Allowed 'General case' 0 C--O 1.242 0.686 0 C-N-CA 125.327 1.451 . . . . 0.0 112.145 175.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.6 m -103.92 115.84 31.19 Favored 'General case' 0 N--CA 1.419 -2.02 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 173.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -84.45 16.5 3.09 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.988 0.423 . . . . 0.0 111.009 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.659 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 6.0 m-85 -91.39 139.61 30.56 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.871 -176.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.429 HD13 ' O ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -131.55 166.23 29.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 175.158 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -70.43 122.96 20.62 Favored 'General case' 0 C--N 1.284 -2.263 0 CA-C-O 121.373 0.606 . . . . 0.0 110.21 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.11 129.7 39.13 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 172.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -81.54 -9.36 59.71 Favored 'General case' 0 C--N 1.274 -2.707 0 CA-C-O 121.667 0.746 . . . . 0.0 109.792 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -101.04 -10.06 20.85 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -172.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.7 p -149.18 6.16 0.67 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.882 0.372 . . . . 0.0 110.935 170.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.6 36.77 93.13 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.458 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 17.2 tpt180 -120.21 136.66 54.56 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -171.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.59 99.66 0.16 Allowed 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 125.995 1.718 . . . . 0.0 109.159 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' HD13 ' A' ' 10' ' ' ILE . 59.1 t -135.09 137.39 50.49 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.923 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.659 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 38.7 m -48.66 132.3 17.62 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 123.907 0.883 . . . . 0.0 112.4 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.62 -30.02 66.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.765 0.793 . . . . 0.0 110.433 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -77.46 -24.61 50.23 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.151 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -100.2 -16.01 17.91 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.074 -174.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.557 HD13 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -57.15 -37.7 72.44 Favored 'General case' 0 C--O 1.2 -1.532 0 C-N-CA 124.724 1.21 . . . . 0.0 111.289 -173.756 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.61 -63.8 1.08 Allowed 'General case' 0 C--O 1.261 1.664 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.53 77.98 Favored 'General case' 0 C--O 1.261 1.661 0 CA-C-O 121.694 0.759 . . . . 0.0 109.439 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -56.38 -45.15 80.69 Favored 'General case' 0 C--O 1.193 -1.89 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.407 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.557 HD23 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.53 -32.71 72.86 Favored 'General case' 0 CA--C 1.476 -1.873 0 O-C-N 123.185 0.303 . . . . 0.0 111.07 -178.112 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -58.99 -43.36 91.45 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -77.7 -38.34 47.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.416 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 22.0 t -62.9 -31.31 72.34 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 124.229 1.012 . . . . 0.0 110.898 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -86.83 -46.49 9.9 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -59.49 -37.46 78.31 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.029 0.442 . . . . 0.0 110.824 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -104.08 13.5 32.39 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.049 0.452 . . . . 0.0 111.036 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.7 -55.05 2.37 Favored Glycine 0 CA--C 1.495 -1.161 0 N-CA-C 108.991 -1.644 . . . . 0.0 108.991 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.75 105.98 18.19 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 174.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -117.51 167.71 11.05 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.065 0.459 . . . . 0.0 111.126 -174.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.6 ptt85 . . . . . 0 C--N 1.294 -1.822 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 174.864 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.331 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -89.73 -24.66 21.48 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -78.06 80.0 4.5 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 122.24 1.019 . . . . 0.0 112.633 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -93.55 -23.08 18.46 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 105.578 -2.008 . . . . 0.0 105.578 169.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -95.27 57.08 1.96 Allowed 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -67.38 157.81 33.18 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.714 -174.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.1 t -80.56 83.38 6.37 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -122.87 16.45 10.13 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.564 -175.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -107.25 138.5 43.33 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.68 166.87 20.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -78.34 110.73 13.64 Favored 'General case' 0 C--N 1.281 -2.375 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.999 -177.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 44.5 t -70.91 139.18 50.64 Favored 'General case' 0 CA--C 1.484 -1.565 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -111.7 12.43 21.1 Favored 'General case' 0 C--N 1.275 -2.673 0 CA-C-O 122.698 1.237 . . . . 0.0 108.772 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.576 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 16.3 m120 -98.87 -41.4 7.64 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 113.165 -1.834 . . . . 0.0 109.255 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.4 p -120.99 -2.89 9.65 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 120.949 0.404 . . . . 0.0 111.031 172.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.02 33.42 59.6 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.835 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.546 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 21.9 tpt180 -118.63 144.52 46.09 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 122.611 -0.346 . . . . 0.0 111.134 -174.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -79.48 103.7 9.58 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 125.468 1.507 . . . . 0.0 108.595 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 t -132.2 149.86 32.92 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.211 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.494 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.1 m -50.76 124.69 11.55 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.756 1.222 . . . . 0.0 111.311 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.76 -37.82 83.11 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 123.418 0.687 . . . . 0.0 110.744 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -66.87 -24.63 66.15 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.328 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -112.62 6.98 18.6 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -173.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.558 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -64.82 -36.36 84.07 Favored 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 -172.225 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.12 -54.47 44.68 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.67 84.73 Favored 'General case' 0 C--O 1.257 1.488 0 CA-C-O 122.048 0.927 . . . . 0.0 109.08 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 74.4 t60 -59.85 -45.97 90.75 Favored 'General case' 0 C--O 1.18 -2.57 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.906 174.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -63.9 -31.0 72.03 Favored 'General case' 0 CA--C 1.497 -1.085 0 C-N-CA 122.825 0.45 . . . . 0.0 110.824 -178.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -62.72 -48.64 78.33 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -69.08 -30.37 68.66 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.508 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.7 t -74.45 -49.29 22.93 Favored 'General case' 0 C--N 1.295 -1.798 0 C-N-CA 123.598 0.759 . . . . 0.0 110.716 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -100.19 -7.43 24.76 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 -172.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.0 t -84.02 1.22 44.89 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.198 177.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -106.91 173.69 6.21 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.54 -32.82 6.13 Favored Glycine 0 N--CA 1.431 -1.642 0 N-CA-C 108.638 -1.785 . . . . 0.0 108.638 171.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -158.96 177.96 10.58 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -59.49 143.71 49.25 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 117.964 0.347 . . . . 0.0 110.53 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 . . . . . 0 C--N 1.306 -1.321 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 -177.543 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.391 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp 64.63 32.75 11.18 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.122 0.969 . . . . 0.0 109.854 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 69.1 -165.0 0.18 Allowed 'General case' 0 C--O 1.241 0.638 0 CA-C-N 113.833 -1.53 . . . . 0.0 108.002 -176.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -85.87 82.24 8.23 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -94.02 -67.02 0.88 Allowed 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.729 -175.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 p -149.24 84.37 1.44 Allowed 'General case' 0 N--CA 1.424 -1.767 0 CA-C-O 121.937 0.875 . . . . 0.0 111.29 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.6 t -161.2 153.36 19.96 Favored 'General case' 0 N--CA 1.426 -1.665 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.497 ' O ' ' HA ' ' A' ' 20' ' ' SER . 99.5 mt-30 -138.23 9.2 2.73 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -101.94 148.34 25.47 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 119.427 -0.909 . . . . 0.0 111.006 -174.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 10' ' ' ILE . 10.5 tp -143.25 160.18 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.196 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -69.45 114.6 7.83 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.093 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.85 129.57 38.95 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 104.982 -2.229 . . . . 0.0 104.982 169.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -82.78 -18.23 41.36 Favored 'General case' 0 C--N 1.259 -3.333 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -175.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.453 ' OD1' HD11 ' A' ' 28' ' ' LEU . 7.3 m120 -89.28 -37.77 14.7 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.757 -1.565 . . . . 0.0 114.581 -171.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -115.76 0.31 13.15 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 118.835 -1.146 . . . . 0.0 110.773 170.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.01 35.14 88.89 Favored Glycine 0 CA--C 1.5 -0.85 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.814 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -119.61 146.12 45.82 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 120.483 -0.487 . . . . 0.0 112.043 -172.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -76.12 102.24 5.65 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 125.3 1.44 . . . . 0.0 107.687 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.3 t -134.84 155.23 38.04 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.672 -176.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.502 ' HB3' ' HB2' ' A' ' 23' ' ' ARG . 37.3 t -58.29 132.55 53.97 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 120.936 0.398 . . . . 0.0 111.916 -178.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.85 -30.18 68.65 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 124.153 0.981 . . . . 0.0 109.173 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -74.27 -25.55 59.68 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.611 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.502 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 62.7 mtp180 -111.13 8.14 21.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.291 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.73 -37.88 85.56 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 122.701 0.4 . . . . 0.0 111.608 -171.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.9 -51.78 65.64 Favored 'General case' 0 C--O 1.259 1.602 0 CA-C-O 121.019 0.438 . . . . 0.0 111.783 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.33 -36.83 85.42 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-O 121.974 0.892 . . . . 0.0 108.721 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -60.94 -42.61 98.53 Favored 'General case' 0 C--O 1.186 -2.271 0 CA-C-N 114.134 -1.393 . . . . 0.0 109.946 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -66.17 -31.79 72.84 Favored 'General case' 0 CA--C 1.479 -1.759 0 CA-C-N 117.728 0.24 . . . . 0.0 110.875 -178.657 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' A' ' 33' ' ' SER . 28.9 mm-40 -64.35 -43.03 95.84 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.432 174.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -69.29 -39.8 78.1 Favored 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 11.9 t -65.16 -61.73 1.96 Allowed 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 125.915 1.686 . . . . 0.0 110.937 -177.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 mt -100.18 -26.61 13.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 115.969 1.841 . . . . 0.0 115.969 -172.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.407 ' HB3' ' O ' ' A' ' 29' ' ' GLN . 22.6 t -72.82 -23.86 60.83 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 118.721 -1.192 . . . . 0.0 109.475 -177.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -83.03 -50.62 8.34 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 172.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.01 148.16 6.21 Favored Glycine 0 N--CA 1.425 -2.093 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.552 176.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.59 166.17 23.51 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.416 ' H ' ' HD2' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -125.62 -1.79 7.37 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.262 179.102 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.3 -1.569 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.752 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.9 tptm 71.36 -33.88 0.28 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.924 1.29 . . . . 0.0 114.233 175.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -80.18 105.72 11.66 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 121.9 -0.5 . . . . 0.0 110.493 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -114.37 -33.08 5.73 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.458 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 69.18 -85.66 0.03 OUTLIER 'General case' 0 C--O 1.234 0.287 0 C-N-CA 125.175 1.39 . . . . 0.0 112.715 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 p -137.14 85.88 2.16 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 121.883 0.849 . . . . 0.0 112.746 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m -148.92 97.2 2.67 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.235 176.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -143.27 23.29 1.84 Allowed 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -99.25 147.87 24.72 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 119.557 -0.857 . . . . 0.0 108.958 -173.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.18 166.47 26.73 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -77.54 117.72 19.26 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-O 121.178 0.513 . . . . 0.0 112.379 -173.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.592 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 53.5 t -77.58 137.41 38.57 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 173.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -93.29 -15.49 25.75 Favored 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.592 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 17.4 m120 -75.49 -43.71 47.74 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 113.838 -1.528 . . . . 0.0 111.675 -171.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.532 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 24.2 p -117.07 2.26 12.65 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.245 171.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 65.79 35.28 90.71 Favored Glycine 0 C--N 1.338 0.644 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.311 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.532 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 14.3 ttp180 -120.8 149.64 42.25 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -174.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -79.18 102.86 8.74 Favored 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 125.375 1.47 . . . . 0.0 107.407 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -124.01 145.01 31.81 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.383 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.756 -174.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.642 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 75.6 m -45.29 122.99 3.74 Favored 'General case' 0 C--O 1.214 -0.773 0 C-N-CA 125.896 1.678 . . . . 0.0 111.851 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.65 -46.62 77.44 Favored 'General case' 0 CA--C 1.5 -0.959 0 C-N-CA 124.326 1.05 . . . . 0.0 111.565 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.74 -23.04 62.36 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 122.012 0.91 . . . . 0.0 110.251 -177.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.642 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 15.0 tpp180 -99.3 -11.99 20.74 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.132 -173.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.544 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 24.8 tp -65.13 -19.97 66.24 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -173.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.75 -64.4 0.87 Allowed 'General case' 0 C--O 1.242 0.692 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 175.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.24 73.52 Favored 'General case' 0 C--O 1.251 1.18 0 CA-C-O 122.12 0.962 . . . . 0.0 109.607 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.544 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 76.6 t60 -58.7 -47.39 84.7 Favored 'General case' 0 C--O 1.191 -1.985 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.297 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -37.83 88.36 Favored 'General case' 0 CA--C 1.486 -1.484 0 O-C-N 123.557 0.536 . . . . 0.0 110.855 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.79 -40.46 88.39 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.884 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -75.77 -44.14 42.98 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.056 0.455 . . . . 0.0 110.895 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.0 t -61.62 -30.19 70.54 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 124.804 1.242 . . . . 0.0 111.523 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.52 -42.04 9.44 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 122.161 -0.337 . . . . 0.0 110.618 -177.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.0 m -74.87 -13.58 60.57 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -121.01 153.32 37.51 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.78 -9.74 55.47 Favored Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 120.003 -1.094 . . . . 0.0 112.572 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.57 -56.24 4.58 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -139.94 -36.32 0.5 Allowed 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 . . . . . 0 N--CA 1.426 -1.671 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 174.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.699 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt 64.65 -77.72 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.417 1.487 . . . . 0.0 110.943 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -173.55 -58.47 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 54.07 150.38 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.473 2.309 . . . . 0.0 114.738 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -122.81 35.14 4.95 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 122.872 1.32 . . . . 0.0 108.838 176.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.473 ' HA ' ' HB2' ' A' ' 9' ' ' TYR . 68.6 m -77.64 24.19 0.22 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 113.222 -1.808 . . . . 0.0 112.251 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -100.15 -31.5 11.37 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 169.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 20' ' ' SER . 28.3 mt-30 -96.26 -5.42 40.33 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.13 173.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.473 ' HB2' ' HA ' ' A' ' 6' ' ' SER . 15.9 m-85 -117.37 131.42 56.78 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 173.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.402 ' HA ' HD12 ' A' ' 10' ' ' ILE . 11.2 tp -113.09 152.18 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.703 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 -177.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -81.08 123.16 28.16 Favored 'General case' 0 N--CA 1.424 -1.725 0 C-N-CA 118.53 -1.268 . . . . 0.0 108.545 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.474 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 39.9 t -71.3 141.87 50.48 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -87.15 -17.43 32.76 Favored 'General case' 0 C--N 1.278 -2.53 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.53 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 3.2 t30 -85.64 -41.58 15.08 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.855 -169.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.1 p -118.81 4.86 11.5 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.607 174.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 12' ' ' CYS . . . 61.47 35.56 91.24 Favored Glycine 0 N--CA 1.479 1.556 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.882 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' H ' ' HB3' ' A' ' 12' ' ' CYS . 23.2 ttt85 -121.12 148.88 43.6 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -171.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -75.39 97.78 3.72 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.075 1.75 . . . . 0.0 109.556 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 t -129.66 145.8 35.14 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.587 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.429 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 6.2 m -46.79 128.34 10.7 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.598 1.159 . . . . 0.0 111.633 -175.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.4 -42.12 77.42 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 124.936 1.294 . . . . 0.0 111.321 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -70.1 -25.41 63.49 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.598 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.429 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 24.7 mmt180 -99.76 -3.96 31.67 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.649 -172.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.56 HD13 HD23 ' A' ' 28' ' ' LEU . 1.1 tm? -59.84 -37.92 80.61 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 123.133 0.271 . . . . 0.0 110.375 -174.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.46 -62.18 1.97 Allowed 'General case' 0 C--N 1.315 -0.919 0 O-C-N 123.277 0.361 . . . . 0.0 111.916 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.57 79.22 Favored 'General case' 0 C--O 1.251 1.173 0 CA-C-O 121.995 0.902 . . . . 0.0 109.496 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -58.03 -45.0 87.66 Favored 'General case' 0 C--O 1.181 -2.506 0 CA-C-N 114.156 -1.384 . . . . 0.0 109.247 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.56 HD23 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -67.21 -36.24 81.29 Favored 'General case' 0 CA--C 1.48 -1.739 0 O-C-N 123.355 0.409 . . . . 0.0 110.901 -177.747 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -60.71 -41.0 94.36 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 119.137 -1.025 . . . . 0.0 110.11 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 ttp-105 -74.32 -44.99 50.21 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.552 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.53 ' SG ' ' HB3' ' A' ' 14' ' ' ASN . 25.1 t -57.43 -40.75 79.03 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 125.284 1.434 . . . . 0.0 110.342 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -83.97 -37.84 21.75 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.358 -174.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.2 t -76.5 -11.25 59.85 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.204 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -114.32 15.9 17.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.237 0.541 . . . . 0.0 109.862 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.86 81.34 0.05 OUTLIER Glycine 0 N--CA 1.432 -1.596 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.93 102.72 3.53 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-O 121.397 0.618 . . . . 0.0 111.286 -177.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -74.75 -12.93 60.53 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.251 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 . . . . . 0 N--CA 1.433 -1.317 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 177.602 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.778 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -75.99 -37.24 58.74 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 120.859 0.361 . . . . 0.0 111.455 -177.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.412 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 90.5 mt-30 -84.85 73.61 10.61 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.901 0.858 . . . . 0.0 110.002 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -82.5 -4.31 57.3 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.408 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -107.05 -5.99 17.73 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.399 0.618 . . . . 0.0 110.783 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.412 ' OG ' ' HB3' ' A' ' 3' ' ' GLN . 9.8 m -95.77 4.61 52.77 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.821 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 p -66.88 117.76 9.43 Favored 'General case' 0 N--CA 1.425 -1.681 0 CA-C-N 115.049 -0.978 . . . . 0.0 113.387 -176.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -103.15 22.29 14.31 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.104 174.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.554 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 35.0 m-85 -91.37 144.28 25.74 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.332 -176.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 10' ' ' ILE . 9.4 tp -124.89 154.08 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.768 0 N-CA-C 105.267 -2.123 . . . . 0.0 105.267 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -86.27 124.62 32.84 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 117.203 -1.799 . . . . 0.0 109.541 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 42.3 t -70.87 130.08 40.71 Favored 'General case' 0 CA--C 1.472 -2.044 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -99.97 8.17 44.25 Favored 'General case' 0 C--N 1.262 -3.197 0 CA-C-O 122.072 0.939 . . . . 0.0 110.188 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.436 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 16.3 m-80 -96.01 -16.91 21.36 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.215 -1.357 . . . . 0.0 111.192 176.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 27.2 p -146.32 -3.1 0.66 Allowed 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.786 0.327 . . . . 0.0 111.761 173.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.46 41.18 67.35 Favored Glycine 0 CA--C 1.506 -0.524 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.892 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.524 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 57.7 ttt180 -120.94 136.96 54.83 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.85 110.19 10.09 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 124.478 1.111 . . . . 0.0 108.813 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.7 t -137.53 141.95 38.02 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.542 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.071 -177.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.554 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 20.1 m -48.16 127.4 12.5 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.812 0.845 . . . . 0.0 110.468 176.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.54 -32.29 62.83 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.706 0.802 . . . . 0.0 111.054 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -76.4 -23.36 54.04 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.699 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -96.13 -10.37 28.41 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -175.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.48 HD13 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -58.88 -38.59 79.16 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.491 -172.194 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.42 -58.41 7.57 Favored 'General case' 0 C--O 1.249 1.054 0 C-N-CA 122.727 0.411 . . . . 0.0 111.718 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.28 91.87 Favored 'General case' 0 C--O 1.262 1.711 0 CA-C-O 121.855 0.836 . . . . 0.0 109.279 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -58.05 -45.39 87.11 Favored 'General case' 0 C--O 1.201 -1.477 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.885 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.48 HD23 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.71 -30.36 69.0 Favored 'General case' 0 C--O 1.193 -1.916 0 O-C-N 123.311 0.382 . . . . 0.0 110.833 -177.1 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -63.64 -41.38 98.26 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.672 174.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -71.72 -41.22 68.8 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.623 0.725 . . . . 0.0 109.331 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 11.6 t -68.63 -24.25 64.53 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 125.001 1.32 . . . . 0.0 111.531 -178.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -94.22 -40.72 9.86 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -177.31 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.3 m -68.73 -33.38 73.84 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-O 121.572 0.701 . . . . 0.0 110.344 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -108.24 -161.24 0.76 Allowed 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.76 -78.66 0.19 Allowed Glycine 0 CA--C 1.485 -1.839 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -158.83 162.7 37.03 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -99.39 79.77 2.33 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 175.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 . . . . . 0 C--N 1.312 -1.038 0 CA-C-N 114.03 -1.441 . . . . 0.0 108.657 -177.954 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.06 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -119.17 -85.39 0.65 Allowed 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -146.92 -64.48 0.28 Allowed 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -74.16 -26.93 60.59 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 174.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -88.78 91.72 8.93 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.265 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -99.93 -49.33 4.37 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.9 m 70.92 -31.96 0.24 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.639 1.575 . . . . 0.0 113.653 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.529 ' O ' ' HA ' ' A' ' 20' ' ' SER . 63.4 tt0 -83.91 97.68 9.36 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 91.3 m-85 -103.71 137.31 41.92 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 175.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 10' ' ' ILE . 9.9 tp -118.46 148.0 21.6 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.065 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -75.28 115.26 14.73 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.624 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 51.5 t -71.54 134.63 46.61 Favored 'General case' 0 N--CA 1.413 -2.294 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 176.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.502 ' H ' ' CD ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -97.58 -8.2 29.54 Favored 'General case' 0 C--N 1.26 -3.323 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -178.155 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.624 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 23.3 m-80 -82.25 -38.54 24.32 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 113.578 -1.647 . . . . 0.0 111.499 -177.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.513 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.8 p -126.31 -0.96 6.99 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.423 173.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.74 37.22 76.06 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.503 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.513 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 6.6 ttp180 -121.39 152.94 38.45 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -176.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -86.19 101.48 13.05 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 125.108 1.363 . . . . 0.0 108.888 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -129.93 145.77 35.15 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.019 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.727 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 45.6 m -58.3 130.3 46.07 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 123.474 0.71 . . . . 0.0 111.107 -177.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.72 -25.14 66.22 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 123.451 0.7 . . . . 0.0 110.677 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -77.06 -17.47 58.73 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.66 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -116.23 -2.09 12.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.814 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.486 HD13 HD23 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -59.01 -39.31 81.5 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.776 -170.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -59.23 -55.27 37.06 Favored 'General case' 0 C--O 1.248 0.974 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.6 -36.98 83.93 Favored 'General case' 0 C--O 1.276 2.463 0 CA-C-O 121.852 0.834 . . . . 0.0 109.55 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -55.52 -49.56 72.28 Favored 'General case' 0 C--O 1.199 -1.568 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.106 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.534 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -64.47 -33.32 75.61 Favored 'General case' 0 CA--C 1.493 -1.226 0 O-C-N 123.708 0.63 . . . . 0.0 110.918 -177.664 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 30.3 mm-40 -59.11 -45.3 91.25 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -74.38 -43.77 55.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.439 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.534 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 32.0 t -53.53 -46.45 70.16 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 125.075 1.35 . . . . 0.0 110.802 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.09 -44.43 15.14 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.31 -175.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 56.5 m -62.35 -29.54 70.53 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.331 0.586 . . . . 0.0 111.647 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -106.02 16.43 25.06 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.695 0.76 . . . . 0.0 109.716 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -122.34 26.71 6.28 Favored Glycine 0 N--CA 1.432 -1.585 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.92 96.19 3.1 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -110.45 153.94 24.31 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.135 -176.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.551 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.497 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -63.12 -37.56 87.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.009 0.433 . . . . 0.0 110.796 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -87.42 15.53 6.43 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.777 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -121.17 175.98 5.83 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 120.814 0.34 . . . . 0.0 110.469 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -71.86 157.31 38.11 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.4 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -59.04 103.19 0.15 Allowed 'General case' 0 C--N 1.32 -0.685 0 O-C-N 123.85 0.719 . . . . 0.0 109.659 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -91.68 112.86 24.96 Favored 'General case' 0 N--CA 1.42 -1.939 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.276 -174.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -101.19 0.7 38.05 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.421 0.629 . . . . 0.0 109.452 172.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 75.3 m-85 -89.79 151.3 21.87 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 10' ' ' ILE . 11.3 tp -144.48 150.38 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.331 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 178.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -71.98 130.17 40.34 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 118.441 -1.304 . . . . 0.0 109.739 176.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.574 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 38.3 t -71.67 138.58 48.73 Favored 'General case' 0 N--CA 1.416 -2.16 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 175.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -86.31 -14.36 43.86 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.574 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 11.0 m120 -84.2 -49.99 8.3 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.434 -1.257 . . . . 0.0 112.589 -175.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.5 p -114.82 8.73 16.11 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.457 175.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.41 33.08 85.19 Favored Glycine 0 N--CA 1.468 0.808 0 C-N-CA 121.583 -0.341 . . . . 0.0 112.572 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 11.1 ttp180 -120.44 133.05 55.48 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -172.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.92 104.62 0.72 Allowed 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 125.427 1.491 . . . . 0.0 109.683 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -134.77 151.3 31.14 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.851 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.2 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 44.1 t -56.91 130.45 45.94 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 120.911 0.386 . . . . 0.0 110.563 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.47 -12.82 61.96 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.62 0.724 . . . . 0.0 110.431 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -93.35 -9.91 37.16 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.869 0.842 . . . . 0.0 109.634 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -115.0 -6.19 12.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.236 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -58.35 -37.91 76.13 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 124.106 0.962 . . . . 0.0 112.609 -170.727 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.21 -58.57 6.76 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.08 75.38 Favored 'General case' 0 C--O 1.272 2.256 0 CA-C-O 122.19 0.995 . . . . 0.0 109.233 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -58.37 -46.66 85.89 Favored 'General case' 0 C--O 1.187 -2.193 0 CA-C-N 113.779 -1.555 . . . . 0.0 108.997 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.438 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -61.66 -38.14 86.66 Favored 'General case' 0 CA--C 1.482 -1.669 0 O-C-N 123.622 0.576 . . . . 0.0 110.846 -178.892 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.33 -40.81 95.59 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 119.162 -1.015 . . . . 0.0 110.747 175.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -73.55 -40.48 63.93 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.1 t -62.7 -39.55 94.35 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 125.801 1.641 . . . . 0.0 110.508 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.26 -36.45 39.84 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.9 t -62.94 -47.85 81.45 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.053 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -152.62 155.43 37.32 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-O 120.951 0.405 . . . . 0.0 111.835 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.99 -101.61 1.51 Allowed Glycine 0 N--CA 1.426 -1.989 0 N-CA-C 108.889 -1.684 . . . . 0.0 108.889 175.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.11 145.01 29.96 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 70.2 154.34 0.12 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.021 0.928 . . . . 0.0 112.321 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.305 -1.337 0 CA-C-O 117.939 -1.029 . . . . 0.0 108.744 176.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.157 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -137.29 -59.21 0.69 Allowed 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 77.41 112.78 0.07 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.539 1.535 . . . . 0.0 113.48 174.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -153.67 -176.15 5.69 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 8' ' ' GLN . 29.3 mm-40 73.32 -58.29 0.6 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.074 1.35 . . . . 0.0 112.406 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 t -68.66 -34.45 75.73 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 171.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.7 m -86.04 83.79 7.68 Favored 'General case' 0 N--CA 1.407 -2.606 0 CA-C-N 114.128 -1.396 . . . . 0.0 109.014 175.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 5' ' ' GLU . 90.6 mt-30 -94.31 18.44 11.04 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.548 177.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 32.0 m-85 -100.51 136.76 39.88 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 10' ' ' ILE . 9.5 tp -112.49 154.67 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.927 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -76.29 115.3 15.89 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.302 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 53.7 t -79.65 129.63 34.65 Favored 'General case' 0 N--CA 1.414 -2.244 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 172.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -13.0 28.97 Favored 'General case' 0 C--N 1.268 -2.943 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.485 ' OD1' HD11 ' A' ' 28' ' ' LEU . 3.8 m120 -75.34 -37.47 60.67 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 114.032 -1.44 . . . . 0.0 113.016 -175.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.2 p -123.88 0.03 8.54 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.637 170.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.09 41.04 92.97 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.958 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 79.2 ttt180 -120.71 153.5 36.87 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -174.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -99.34 99.01 9.89 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -175.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.3 t -125.65 146.79 30.79 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.172 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 -171.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 6.1 m -49.43 122.16 5.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.547 1.139 . . . . 0.0 110.534 -178.205 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.32 -30.27 59.89 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.172 0.989 . . . . 0.0 112.546 -175.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -80.14 -18.09 50.74 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.39 0.614 . . . . 0.0 111.057 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -108.28 2.0 22.36 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.602 -177.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.504 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -65.13 -36.02 82.95 Favored 'General case' 0 C--O 1.205 -1.286 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.371 -174.418 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -53.12 -61.68 2.14 Favored 'General case' 0 C--O 1.251 1.135 0 C-N-CA 122.901 0.48 . . . . 0.0 112.231 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.21 -35.07 79.47 Favored 'General case' 0 C--O 1.25 1.129 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 71.8 t60 -54.03 -52.12 61.85 Favored 'General case' 0 C--O 1.196 -1.738 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.309 174.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.504 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -63.74 -34.56 78.15 Favored 'General case' 0 CA--C 1.482 -1.658 0 O-C-N 123.75 0.656 . . . . 0.0 110.964 -177.088 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 22.9 mm-40 -59.95 -46.34 89.72 Favored 'General case' 0 C--O 1.203 -1.371 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.05 178.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -74.7 -41.84 59.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.9 0.381 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.501 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 37.2 t -51.98 -53.95 35.5 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 125.284 1.434 . . . . 0.0 110.33 177.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 32' ' ' LEU . 14.9 mt -86.41 -25.7 25.14 Favored 'General case' 0 N--CA 1.44 -0.925 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.4 t -68.65 -31.2 70.16 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -100.0 -4.82 29.23 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.732 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.36 57.97 2.71 Favored Glycine 0 C--N 1.309 -0.959 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.23 118.08 23.38 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-O 120.945 0.402 . . . . 0.0 110.956 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -79.97 -38.34 32.43 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.328 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 . . . . . 0 C--O 1.246 0.92 0 C-N-CA 124.961 1.304 . . . . 0.0 110.925 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.176 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -137.25 135.7 37.43 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -106.9 98.57 8.22 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 120.904 0.383 . . . . 0.0 110.767 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -64.59 -44.72 89.75 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -123.23 141.14 52.29 Favored 'General case' 0 N--CA 1.415 -2.222 0 CA-C-N 113.95 -1.477 . . . . 0.0 107.279 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 m -74.64 112.86 11.27 Favored 'General case' 0 N--CA 1.418 -2.027 0 N-CA-C 106.217 -1.772 . . . . 0.0 106.217 172.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.0 m -75.56 72.07 2.52 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-O 121.397 0.617 . . . . 0.0 111.105 -175.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -78.08 24.35 0.25 Allowed 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 124.486 1.115 . . . . 0.0 111.324 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -110.59 145.61 37.56 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 tp -130.13 154.87 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.393 -3.312 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -71.85 120.39 17.38 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' H ' ' A' ' 17' ' ' ARG . 35.3 t -70.87 128.09 34.83 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 175.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -83.22 -5.91 59.29 Favored 'General case' 0 C--N 1.277 -2.568 0 O-C-N 123.743 0.652 . . . . 0.0 109.646 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -93.08 -57.04 2.75 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.668 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 28.3 p -103.87 1.7 31.75 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.998 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.54 37.6 89.82 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.524 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.571 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 25.1 ttp180 -121.37 140.27 52.34 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -78.95 103.06 8.64 Favored 'General case' 0 CA--C 1.498 -1.026 0 C-N-CA 124.442 1.097 . . . . 0.0 108.529 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.413 ' CG2' ' HG2' ' A' ' 17' ' ' ARG . 43.8 t -132.42 149.56 32.41 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.364 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.874 -176.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -49.77 119.94 3.9 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.618 0.767 . . . . 0.0 111.911 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.02 73.11 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 124.864 1.266 . . . . 0.0 110.778 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -62.29 -26.72 68.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.95 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.22 15.7 15.92 Favored 'General case' 0 N--CA 1.428 -1.553 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.43 -174.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.462 HD13 HD23 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -66.5 -36.44 82.72 Favored 'General case' 0 C--O 1.198 -1.615 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -174.446 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.48 -48.72 78.38 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 120.666 0.269 . . . . 0.0 111.362 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.5 -42.23 95.97 Favored 'General case' 0 C--O 1.25 1.093 0 CA-C-O 121.984 0.897 . . . . 0.0 108.813 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -60.32 -43.43 96.4 Favored 'General case' 0 C--O 1.174 -2.9 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.822 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' HA ' HD22 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -67.5 -31.85 72.25 Favored 'General case' 0 CA--C 1.482 -1.647 0 CA-C-N 117.952 0.342 . . . . 0.0 111.152 -177.793 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -67.12 -37.44 83.88 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 119.019 -1.072 . . . . 0.0 109.615 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -70.44 -45.83 65.06 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 176.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 29.7 t -60.43 -42.07 95.33 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 126.408 1.883 . . . . 0.0 110.647 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -84.64 -43.12 14.69 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.719 -175.8 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.6 t -71.95 -33.81 68.49 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.593 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -91.31 -3.31 56.94 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.683 0.754 . . . . 0.0 110.322 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -114.51 15.06 20.13 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.09 115.63 27.5 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 115.157 -0.522 . . . . 0.0 110.075 -177.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -93.52 -60.98 1.64 Allowed 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 . . . . . 0 C--O 1.247 0.956 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 177.215 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.025 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -93.36 101.66 13.9 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 117.034 0.417 . . . . 0.0 111.404 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -108.69 -40.43 5.08 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 175.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -104.45 138.65 40.52 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -95.2 93.52 7.36 Favored 'General case' 0 C--N 1.292 -1.915 0 CA-C-O 122.087 0.946 . . . . 0.0 111.38 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -150.57 27.51 0.73 Allowed 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 105.731 -1.951 . . . . 0.0 105.731 175.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.53 32.52 0.57 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 113.721 -1.582 . . . . 0.0 108.889 -175.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.629 ' O ' ' HA ' ' A' ' 20' ' ' SER . 51.5 mt-30 -92.23 16.88 10.56 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.267 -171.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -125.43 149.8 47.88 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 10' ' ' ILE . 8.9 tp -136.3 152.71 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.171 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -80.38 114.55 19.36 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 50.4 t -71.62 135.2 46.84 Favored 'General case' 0 N--CA 1.42 -1.944 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 177.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -92.4 -12.33 32.52 Favored 'General case' 0 C--N 1.269 -2.904 0 CA-C-O 122.116 0.96 . . . . 0.0 108.508 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.499 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 19.8 m120 -87.64 -14.29 40.38 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.107 -1.406 . . . . 0.0 112.136 -173.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.3 p -147.37 2.32 0.74 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 171.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 63.45 36.86 93.94 Favored Glycine 0 C--O 1.22 -0.761 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.694 -177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 20.3 tpp180 -119.96 147.38 44.84 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 -174.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -84.36 105.84 15.5 Favored 'General case' 0 CA--C 1.488 -1.41 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 51.4 t -129.0 149.68 33.92 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.19 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.355 -174.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.629 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 5.2 m -53.35 126.98 23.11 Favored 'General case' 0 N--CA 1.428 -1.568 0 C-N-CA 123.746 0.818 . . . . 0.0 111.323 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.65 88.04 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 124.666 1.186 . . . . 0.0 110.996 -177.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -62.97 -26.88 69.05 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.828 0.823 . . . . 0.0 110.684 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -98.31 -6.7 30.39 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.409 -174.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.54 HD13 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -58.1 -39.23 78.11 Favored 'General case' 0 C--O 1.206 -1.197 0 O-C-N 123.353 0.408 . . . . 0.0 111.487 -172.11 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.06 -58.88 6.03 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-O 121.029 0.442 . . . . 0.0 111.771 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.9 83.3 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-O 121.837 0.827 . . . . 0.0 109.396 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -57.65 -44.59 85.75 Favored 'General case' 0 C--O 1.187 -2.195 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.422 175.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.54 HD23 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -67.19 -34.83 78.35 Favored 'General case' 0 CA--C 1.477 -1.85 0 O-C-N 123.401 0.438 . . . . 0.0 110.591 -177.67 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -59.81 -43.48 94.49 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -72.31 -45.22 60.93 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.477 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 18.4 t -58.16 -44.37 87.89 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.474 1.51 . . . . 0.0 110.695 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.95 -46.56 29.1 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -176.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.7 m -63.14 -33.25 75.06 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -95.89 0.29 51.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.86 85.09 1.09 Allowed Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 109.729 -1.348 . . . . 0.0 109.729 177.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.15 -55.37 1.36 Allowed 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -174.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -73.1 -26.96 61.43 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.838 0.828 . . . . 0.0 109.896 -176.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.425 -1.706 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 175.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.442 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -97.66 -36.19 10.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.283 0.563 . . . . 0.0 110.038 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -111.85 88.76 2.88 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 173.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -91.59 99.37 12.3 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -167.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -149.38 24.83 0.89 Allowed 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 168.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 m -96.8 101.92 13.61 Favored 'General case' 0 N--CA 1.416 -2.168 0 CA-C-N 114.36 -1.291 . . . . 0.0 110.885 -172.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.3 p -83.35 -55.36 4.37 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.424 ' HA ' ' OE1' ' A' ' 8' ' ' GLN . 6.0 tp60 -141.13 49.49 1.65 Allowed 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 175.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.6 OUTLIER -99.98 144.84 28.56 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.103 -177.248 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.8 tp -126.42 160.29 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.911 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -80.03 115.42 19.59 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 53.8 t -71.49 133.73 46.05 Favored 'General case' 0 N--CA 1.421 -1.878 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 175.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.02 2.03 45.89 Favored 'General case' 0 C--N 1.27 -2.851 0 CA-C-O 122.472 1.13 . . . . 0.0 108.98 -176.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.626 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 35.5 m-80 -93.22 -56.15 3.06 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.838 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -103.41 -6.47 21.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.463 174.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.61 35.71 50.66 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.715 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -120.94 152.24 38.74 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.835 -175.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.75 104.13 11.92 Favored 'General case' 0 CA--C 1.495 -1.146 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.1 t -129.88 144.94 36.53 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.877 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.536 -175.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 47.5 t -53.54 131.63 38.85 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.459 0.704 . . . . 0.0 110.651 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.21 -30.22 68.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.637 0.732 . . . . 0.0 109.854 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -71.34 -27.06 63.1 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.601 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -93.18 -27.19 17.04 Favored 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.009 -176.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.463 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -43.64 -43.98 6.1 Favored 'General case' 0 C--O 1.196 -1.712 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -173.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.56 -59.38 5.54 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-O 121.084 0.469 . . . . 0.0 111.821 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.78 78.98 Favored 'General case' 0 C--O 1.257 1.458 0 CA-C-O 122.355 1.074 . . . . 0.0 109.494 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.463 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 70.9 t60 -60.88 -43.02 99.01 Favored 'General case' 0 C--O 1.188 -2.166 0 CA-C-N 114.264 -1.334 . . . . 0.0 110.028 175.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.51 -35.31 80.53 Favored 'General case' 0 CA--C 1.475 -1.907 0 CA-C-N 117.92 0.327 . . . . 0.0 110.469 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 33' ' ' SER . 30.6 mm-40 -57.67 -45.81 85.09 Favored 'General case' 0 N--CA 1.444 -0.755 0 O-C-N 123.999 0.812 . . . . 0.0 108.86 175.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -72.04 -45.77 59.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.103 0.478 . . . . 0.0 110.247 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.2 t -57.39 -43.92 84.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.094 1.357 . . . . 0.0 110.099 -177.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.8 mt -90.84 -14.55 31.61 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.49 ' HB2' ' O ' ' A' ' 29' ' ' GLN . 22.8 t -61.85 -46.58 88.84 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -87.31 -44.4 11.43 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.687 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.83 -160.12 52.6 Favored Glycine 0 N--CA 1.442 -0.938 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.27 106.58 7.63 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -86.7 114.18 23.18 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 177.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 . . . . . 0 C--N 1.293 -1.873 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -176.962 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.222 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -73.57 136.35 43.98 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 116.859 0.33 . . . . 0.0 110.764 -178.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -139.26 4.15 2.2 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 120.809 0.338 . . . . 0.0 111.695 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -92.04 90.26 7.31 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.537 0.684 . . . . 0.0 110.399 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -125.21 174.82 7.83 Favored 'General case' 0 N--CA 1.421 -1.894 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.989 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -125.52 97.44 5.18 Favored 'General case' 0 N--CA 1.419 -1.99 0 CA-C-O 120.999 0.428 . . . . 0.0 110.675 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -144.45 -55.06 0.34 Allowed 'General case' 0 N--CA 1.432 -1.327 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 20' ' ' SER . 78.8 mt-30 -103.33 8.89 38.18 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -114.9 149.66 36.86 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 10' ' ' ILE . 9.7 tp -139.5 155.44 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.643 0 N-CA-C 105.901 -1.889 . . . . 0.0 105.901 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -79.63 128.57 33.56 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 117.998 -1.481 . . . . 0.0 109.94 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 41.7 t -71.95 130.28 40.6 Favored 'General case' 0 N--CA 1.407 -2.607 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 173.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -92.26 -0.05 57.43 Favored 'General case' 0 C--N 1.263 -3.194 0 CA-C-O 121.671 0.748 . . . . 0.0 109.412 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.6 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 16.4 m120 -93.55 -57.2 2.65 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.772 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 p -97.93 -14.26 20.74 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 120.201 -0.599 . . . . 0.0 111.528 174.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.87 38.05 17.3 Favored Glycine 0 CA--C 1.505 -0.555 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.561 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -121.33 140.91 51.47 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -75.3 104.34 5.83 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 177.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.0 t -128.83 153.64 38.66 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.649 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.343 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 17.2 m -56.42 123.84 16.08 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 123.692 0.797 . . . . 0.0 111.065 -179.114 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.78 -36.48 72.21 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 124.717 1.207 . . . . 0.0 112.254 -175.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -75.31 -19.41 59.67 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.589 0.709 . . . . 0.0 110.671 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.413 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 75.2 mtp180 -106.87 3.66 26.54 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.485 -174.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -66.78 -35.34 79.85 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.141 -173.367 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.92 -55.88 28.66 Favored 'General case' 0 C--O 1.254 1.321 0 C-N-CA 122.533 0.333 . . . . 0.0 111.84 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.1 93.42 Favored 'General case' 0 C--O 1.258 1.525 0 CA-C-O 122.133 0.968 . . . . 0.0 108.947 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -57.88 -44.62 86.8 Favored 'General case' 0 C--O 1.19 -2.045 0 CA-C-N 113.801 -1.545 . . . . 0.0 109.499 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -64.05 -35.94 82.36 Favored 'General case' 0 CA--C 1.475 -1.925 0 O-C-N 123.096 0.248 . . . . 0.0 111.135 -179.286 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -62.22 -40.09 94.97 Favored 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.389 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -72.41 -43.01 64.48 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.784 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 t -59.58 -45.69 91.12 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 125.504 1.522 . . . . 0.0 109.654 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -39.17 61.95 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.857 -177.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 t -64.28 -47.87 77.87 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.673 0.273 . . . . 0.0 110.928 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -64.95 -38.25 90.33 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-O 121.184 0.516 . . . . 0.0 110.887 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.04 46.28 0.66 Allowed Glycine 0 N--CA 1.426 -1.972 0 C-N-CA 119.69 -1.243 . . . . 0.0 113.377 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.59 75.91 4.13 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 122.505 1.145 . . . . 0.0 109.63 175.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -142.96 130.89 21.65 Favored 'General case' 0 N--CA 1.416 -2.152 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 . . . . . 0 C--N 1.293 -1.872 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -178.084 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.401 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.64 120.42 16.34 Favored 'General case' 0 C--N 1.307 -1.239 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 176.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -121.67 78.98 1.5 Allowed 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.27 0.557 . . . . 0.0 111.156 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -115.38 -44.96 2.95 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 175.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.14 -19.43 51.05 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.004 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t 79.33 87.85 0.06 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.885 1.674 . . . . 0.0 111.028 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 m -81.48 -36.98 28.66 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.362 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -97.79 10.46 40.06 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -173.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 1.4 m-85 -112.03 152.2 28.44 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.5 tp -126.27 154.83 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.555 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -76.74 110.16 11.1 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.035 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 48.3 t -71.52 136.22 47.44 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 175.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -101.62 0.69 36.71 Favored 'General case' 0 C--N 1.279 -2.483 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.55 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 14.4 m120 -89.13 -39.14 13.8 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.147 -177.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.1 p -121.93 0.31 9.69 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.02 0.438 . . . . 0.0 110.211 172.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.91 37.01 91.9 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.171 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 1.6 tpm_? -119.92 143.17 48.12 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -174.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -79.82 101.79 8.71 Favored 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.3 t -128.26 149.23 32.93 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.466 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.591 -175.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 11.8 m -45.5 119.12 2.0 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.589 1.155 . . . . 0.0 111.834 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.61 -48.79 71.78 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 126.035 1.734 . . . . 0.0 112.451 -173.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -73.81 -14.28 61.07 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.382 -175.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -114.56 9.61 16.65 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-O 121.626 0.727 . . . . 0.0 109.598 -175.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.497 HD13 HD23 ' A' ' 28' ' ' LEU . 1.3 tm? -62.81 -34.21 76.83 Favored 'General case' 0 C--O 1.206 -1.201 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.876 -175.067 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.56 -58.77 5.97 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.53 0.732 . . . . 0.0 112.287 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.91 89.22 Favored 'General case' 0 C--O 1.286 3.013 0 CA-C-O 122.215 1.007 . . . . 0.0 109.507 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -56.48 -47.1 79.95 Favored 'General case' 0 C--O 1.192 -1.947 0 CA-C-N 113.601 -1.636 . . . . 0.0 109.293 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.516 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -64.95 -35.92 82.74 Favored 'General case' 0 CA--C 1.478 -1.799 0 O-C-N 123.699 0.624 . . . . 0.0 111.24 -177.405 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -57.65 -44.98 86.06 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 123.577 0.548 . . . . 0.0 109.603 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -77.04 -38.07 53.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.999 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.516 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 45.7 t -60.56 -40.2 90.76 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 124.775 1.23 . . . . 0.0 110.742 178.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -79.46 -44.4 21.4 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.195 -177.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -62.13 -38.24 88.2 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 121.16 0.505 . . . . 0.0 110.723 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.517 HH21 ' HA ' ' A' ' 38' ' ' ARG . 52.7 mtp180 -91.39 54.88 2.65 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 122.161 -0.337 . . . . 0.0 110.738 179.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.89 105.92 0.97 Allowed Glycine 0 C--O 1.241 0.542 0 N-CA-C 112.023 -0.431 . . . . 0.0 112.023 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 65.79 12.24 8.18 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.855 1.262 . . . . 0.0 111.63 -178.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 -97.06 94.74 7.34 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.546 0.689 . . . . 0.0 112.238 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.517 ' HA ' HH21 ' A' ' 34' ' ' ARG . 15.6 ptm180 . . . . . 0 C--N 1.295 -1.772 0 CA-C-N 114.683 -1.144 . . . . 0.0 108.968 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.159 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -84.11 99.85 10.75 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -71.79 -38.62 70.25 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 106.827 -1.545 . . . . 0.0 106.827 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.493 ' HG2' ' H ' ' A' ' 6' ' ' SER . 53.3 tt0 -129.05 127.51 41.71 Favored 'General case' 0 N--CA 1.408 -2.558 0 CA-C-N 113.388 -1.733 . . . . 0.0 106.53 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -86.33 6.31 30.54 Favored 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 122.749 0.42 . . . . 0.0 110.935 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.493 ' H ' ' HG2' ' A' ' 4' ' ' GLN . 17.3 m 58.88 68.73 0.79 Allowed 'General case' 0 C--O 1.243 0.715 0 C-N-CA 124.242 1.017 . . . . 0.0 110.16 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.1 m -101.53 -155.29 0.51 Allowed 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 114.257 -1.338 . . . . 0.0 109.591 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.493 ' O ' ' HA ' ' A' ' 20' ' ' SER . 19.4 tp60 75.51 85.34 0.09 Allowed 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 125.639 1.576 . . . . 0.0 113.325 176.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -106.67 136.5 46.36 Favored 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 168.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.516 HG23 HD22 ' A' ' 24' ' ' LEU . 10.3 tp -126.45 153.3 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.087 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -75.71 127.12 32.36 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.738 -0.785 . . . . 0.0 110.505 -178.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 46.5 t -75.02 125.92 29.92 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 170.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -92.3 4.85 52.48 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-O 121.972 0.891 . . . . 0.0 109.472 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.612 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 11.7 m120 -93.59 -36.43 12.39 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.911 179.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.8 p -131.2 11.92 5.04 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.239 175.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 57.96 43.02 95.14 Favored Glycine 0 C--N 1.348 1.234 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.42 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 78.0 ttt180 -121.16 139.6 53.14 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 115.492 -0.354 . . . . 0.0 111.895 -172.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -84.34 104.1 14.08 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 123.871 0.869 . . . . 0.0 108.933 -176.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.7 t -129.65 144.13 39.02 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.595 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.505 -176.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 14.5 t -45.98 130.76 9.87 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 124.37 1.068 . . . . 0.0 109.485 174.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.26 -25.35 67.79 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.372 0.606 . . . . 0.0 110.164 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -72.4 -39.24 68.1 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.274 178.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -88.24 -24.14 23.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.781 -174.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.516 HD22 HG23 ' A' ' 10' ' ' ILE . 37.7 tp -58.67 -22.53 57.2 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -173.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -65.41 -60.81 2.56 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-O 121.028 0.442 . . . . 0.0 110.978 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.66 -33.3 75.35 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-O 121.926 0.869 . . . . 0.0 108.87 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.516 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 60.8 t60 -59.11 -45.88 89.75 Favored 'General case' 0 C--O 1.196 -1.738 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.58 175.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.412 HD11 ' OD1' ' A' ' 14' ' ' ASN . 0.7 OUTLIER -62.92 -37.47 87.12 Favored 'General case' 0 CA--C 1.471 -2.091 0 CA-C-N 117.936 0.335 . . . . 0.0 110.865 178.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 26.8 mm-40 -58.25 -42.62 86.81 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 123.768 0.668 . . . . 0.0 109.753 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -79.61 -42.36 25.08 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.525 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.0 t -54.26 -44.16 71.58 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.487 1.115 . . . . 0.0 110.028 177.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.4 mt -75.62 -46.96 28.66 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.873 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.8 m -64.13 -23.7 67.41 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -112.58 24.44 12.48 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.285 0.564 . . . . 0.0 110.808 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.79 119.68 5.07 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 175.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.48 162.16 27.84 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 116.991 0.395 . . . . 0.0 111.038 -177.025 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -138.41 165.39 26.9 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 . . . . . 0 C--N 1.292 -1.911 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.823 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.919 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -74.83 -29.08 60.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 117.173 0.486 . . . . 0.0 110.32 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 50.1 63.38 2.22 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 124.23 1.012 . . . . 0.0 111.202 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 72.83 141.26 0.06 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.369 -1.287 . . . . 0.0 114.419 -176.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -90.34 4.28 51.27 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.716 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m 69.03 -1.48 2.08 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.449 1.1 . . . . 0.0 113.925 172.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.4 m -92.31 84.2 5.15 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -123.67 10.32 9.03 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.56 -174.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -110.61 149.72 30.01 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 10' ' ' ILE . 9.1 tp -130.25 159.93 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.068 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -87.38 117.11 25.93 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.647 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 42.6 t -73.26 127.77 33.57 Favored 'General case' 0 N--CA 1.424 -1.759 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 175.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -85.43 -15.56 42.59 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.573 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 29.8 m-80 -84.4 -22.81 30.31 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 113.906 -1.497 . . . . 0.0 113.183 -172.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 24.9 p -140.69 1.25 1.7 Allowed 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.326 173.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.84 42.94 96.77 Favored Glycine 0 C--O 1.219 -0.794 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -176.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 77.9 ttt180 -121.51 149.89 42.42 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 120.196 -0.602 . . . . 0.0 111.817 -174.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -86.56 106.88 17.85 Favored 'General case' 0 CA--C 1.488 -1.411 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.3 t -132.14 143.19 40.8 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.799 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.422 -176.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 m -46.36 121.42 3.38 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 124.273 1.029 . . . . 0.0 111.227 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.23 -38.43 79.97 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 124.548 1.139 . . . . 0.0 112.157 -175.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -67.0 -22.08 65.92 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.405 0.621 . . . . 0.0 111.494 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 ttp85 -112.73 11.85 19.53 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.14 -175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.539 HD13 HD23 ' A' ' 28' ' ' LEU . 1.4 tm? -68.3 -41.69 80.53 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 121.831 -0.543 . . . . 0.0 111.31 -174.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -62.52 -44.07 97.26 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 111.516 0.191 . . . . 0.0 111.516 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.83 -40.62 88.03 Favored 'General case' 0 C--O 1.261 1.695 0 CA-C-O 122.278 1.037 . . . . 0.0 108.7 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -59.92 -41.64 92.18 Favored 'General case' 0 C--O 1.191 -2.001 0 CA-C-N 114.104 -1.407 . . . . 0.0 109.657 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.539 HD23 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -65.91 -32.01 73.28 Favored 'General case' 0 CA--C 1.486 -1.484 0 C-N-CA 122.547 0.339 . . . . 0.0 110.924 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 25.7 mm-40 -62.55 -45.71 91.68 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 174.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -67.32 -42.7 83.19 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.994 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.5 t -61.94 -40.79 96.72 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 124.521 1.128 . . . . 0.0 110.059 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.93 -15.53 31.86 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.6 m -76.61 -5.67 48.74 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.816 0.817 . . . . 0.0 109.471 172.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -114.13 158.43 21.3 Favored 'General case' 0 N--CA 1.419 -1.978 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.273 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.74 126.59 8.06 Favored Glycine 0 N--CA 1.429 -1.821 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.19 -73.78 0.39 Allowed 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -93.87 -27.39 16.44 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.5 mtm-85 . . . . . 0 C--N 1.305 -1.356 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.63 -179.254 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 . . . . . 0 N--CA 1.44 -0.95 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.5 pt -120.66 167.78 13.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -83.08 112.8 20.13 Favored 'General case' 0 C--N 1.276 -2.624 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.14 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 43.2 t -72.27 138.24 47.3 Favored 'General case' 0 N--CA 1.421 -1.915 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 174.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -95.94 -9.94 29.95 Favored 'General case' 0 C--N 1.271 -2.829 0 CA-C-O 122.069 0.938 . . . . 0.0 108.524 -177.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.444 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 15.7 m-80 -84.92 -37.38 20.62 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 114.46 -1.245 . . . . 0.0 112.529 -176.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.5 p -124.6 -3.68 7.79 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.177 0.513 . . . . 0.0 110.898 173.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.17 36.58 60.14 Favored Glycine 0 C--O 1.222 -0.622 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.193 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.571 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 7.9 tpt180 -119.38 144.67 46.77 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -175.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.73 102.13 1.46 Allowed 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 126.848 2.059 . . . . 0.0 108.146 172.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.453 HG11 ' CG ' ' A' ' 27' ' ' HIS . 49.1 t -133.15 151.33 33.8 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.842 -177.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m -61.81 126.61 27.97 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.67 -24.88 67.97 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 124.271 1.028 . . . . 0.0 109.219 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -78.4 -7.83 57.8 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.297 -1.32 . . . . 0.0 110.374 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -131.7 8.25 4.51 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.979 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.445 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -65.34 -37.31 86.67 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.044 -170.496 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.29 -50.19 66.66 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.36 94.11 Favored 'General case' 0 C--O 1.272 2.276 0 CA-C-O 122.721 1.248 . . . . 0.0 108.716 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.453 ' CG ' HG11 ' A' ' 19' ' ' VAL . 67.7 t60 -58.44 -44.73 89.27 Favored 'General case' 0 C--O 1.187 -2.185 0 CA-C-N 113.235 -1.802 . . . . 0.0 109.086 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -63.55 -35.29 80.01 Favored 'General case' 0 CA--C 1.483 -1.605 0 O-C-N 123.472 0.483 . . . . 0.0 111.331 -178.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.511 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -58.36 -48.28 81.11 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 174.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -69.31 -41.6 76.53 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.127 0.489 . . . . 0.0 110.027 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.469 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 33.6 t -62.21 -48.13 81.39 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 125.057 1.343 . . . . 0.0 111.371 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tm? . . . . . 0 C--N 1.316 -0.879 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 -176.751 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 . . . . . 0 C--O 1.245 0.823 0 CA-C-O 120.746 0.308 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.03 166.76 27.8 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 108.264 -1.014 . . . . 0.0 108.264 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -73.07 114.81 11.65 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.309 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 50.4 t -71.18 129.59 39.31 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 174.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -87.52 -6.8 58.2 Favored 'General case' 0 C--N 1.269 -2.901 0 CA-C-O 122.294 1.045 . . . . 0.0 108.521 -176.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.47 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 39.8 m-80 -98.13 -16.75 19.4 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.072 -1.422 . . . . 0.0 113.413 -175.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.5 p -148.1 2.29 0.67 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.677 173.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.85 35.94 90.36 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.405 -178.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.476 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 74.2 ttt180 -119.15 149.02 42.42 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.133 -174.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -80.88 105.05 11.81 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 124.84 1.256 . . . . 0.0 107.876 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.33 145.67 34.25 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.359 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.195 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.45 ' HB3' ' HB2' ' A' ' 23' ' ' ARG . 30.1 t -58.85 126.74 28.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.507 0.723 . . . . 0.0 109.492 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.37 70.39 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 123.832 0.853 . . . . 0.0 111.219 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -76.13 -29.02 57.67 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.378 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.45 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 1.2 mpt_? -101.58 2.38 38.89 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.924 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.469 HD13 HD23 ' A' ' 28' ' ' LEU . 1.2 tm? -62.82 -36.18 82.35 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.222 -173.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -57.03 -54.18 49.71 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 123.401 0.438 . . . . 0.0 112.147 178.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.75 95.23 Favored 'General case' 0 C--O 1.27 2.178 0 CA-C-O 122.153 0.978 . . . . 0.0 109.111 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -59.34 -45.35 91.62 Favored 'General case' 0 C--O 1.189 -2.129 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.079 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.471 HD13 HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -67.85 -28.69 67.76 Favored 'General case' 0 CA--C 1.488 -1.404 0 C-N-CA 122.535 0.334 . . . . 0.0 111.256 -178.077 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 29.8 mm-40 -63.28 -45.61 90.63 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HE ' ' HB2' ' A' ' 30' ' ' ARG . 15.2 ttm180 -74.96 -38.71 61.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.66 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 13.0 t -60.02 -37.8 80.8 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 124.801 1.24 . . . . 0.0 109.914 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.471 HD23 HD13 ' A' ' 28' ' ' LEU . 3.3 mm? . . . . . 0 C--O 1.221 -0.413 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -177.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 . . . . . 0 N--CA 1.422 -1.869 0 CA-C-O 121.186 0.517 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 10' ' ' ILE . 11.0 tp -129.9 151.44 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.641 0 N-CA-C 105.423 -2.065 . . . . 0.0 105.423 176.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -80.49 128.7 33.89 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 118.47 -1.292 . . . . 0.0 109.604 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 51.1 t -80.48 140.99 35.63 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 174.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.15 -10.08 24.74 Favored 'General case' 0 C--N 1.274 -2.689 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.471 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 15.0 m-80 -83.06 -20.45 34.95 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 113.909 -1.496 . . . . 0.0 113.051 -177.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.6 p -140.7 4.17 1.91 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.253 0.549 . . . . 0.0 110.549 170.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 59.91 38.59 94.33 Favored Glycine 0 CA--C 1.505 -0.573 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.053 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -120.65 142.52 49.37 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.728 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -76.21 100.63 5.11 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 125.942 1.697 . . . . 0.0 107.807 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.84 152.88 38.02 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.404 ' HB3' ' HB2' ' A' ' 23' ' ' ARG . 39.5 t -54.92 127.66 29.79 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 122.974 0.51 . . . . 0.0 110.823 -176.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.6 -27.96 69.56 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.816 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -83.09 -20.32 35.11 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.945 0.879 . . . . 0.0 110.724 -178.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.404 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 98.4 mtt180 -107.79 4.02 25.12 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.652 -176.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.512 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -70.45 -37.63 74.37 Favored 'General case' 0 C--O 1.21 -1.017 0 O-C-N 123.55 0.531 . . . . 0.0 111.661 -171.405 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.58 68.36 Favored 'General case' 0 C--O 1.258 1.529 0 CA-C-O 121.393 0.616 . . . . 0.0 111.072 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.04 89.6 Favored 'General case' 0 C--O 1.251 1.153 0 CA-C-O 122.199 0.999 . . . . 0.0 108.786 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.512 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 69.3 t60 -58.68 -43.85 90.07 Favored 'General case' 0 C--O 1.179 -2.636 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.637 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -65.44 -36.14 83.02 Favored 'General case' 0 CA--C 1.481 -1.681 0 CA-C-N 117.96 0.346 . . . . 0.0 110.491 -179.101 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -59.04 -42.4 90.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -74.04 -44.43 54.35 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.827 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.9 t -57.07 -45.56 83.19 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 125.434 1.494 . . . . 0.0 109.702 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.441 -0.891 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.488 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 . . . . . 0 N--CA 1.422 -1.858 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.439 ' HA ' HD12 ' A' ' 10' ' ' ILE . 10.6 tp -138.22 161.55 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.213 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -74.51 117.87 16.82 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.008 0.432 . . . . 0.0 110.97 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.562 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 51.2 t -75.6 134.06 40.76 Favored 'General case' 0 N--CA 1.429 -1.511 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 174.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -84.95 -15.74 43.34 Favored 'General case' 0 C--N 1.276 -2.603 0 CA-C-O 122.101 0.953 . . . . 0.0 109.054 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.562 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 37.4 m-80 -86.72 -43.26 12.71 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.203 -1.362 . . . . 0.0 113.486 -171.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 21.7 p -118.26 5.33 11.9 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.842 173.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.54 38.29 95.57 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 78.9 ttt180 -120.2 154.0 35.47 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.542 -171.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -82.18 98.55 8.78 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 125.473 1.509 . . . . 0.0 107.666 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.9 t -126.99 147.62 31.89 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.505 ' HB3' ' HB3' ' A' ' 23' ' ' ARG . 28.2 t -46.17 128.44 9.52 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 124.469 1.108 . . . . 0.0 111.5 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.96 93.79 Favored 'General case' 0 C--N 1.31 -1.122 0 C-N-CA 124.335 1.054 . . . . 0.0 110.177 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -72.1 -29.35 64.0 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.034 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.505 ' HB3' ' HB3' ' A' ' 20' ' ' SER . 39.5 ttm180 -101.17 -1.44 33.87 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.329 0.585 . . . . 0.0 111.786 -175.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.49 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 29.5 tp -66.22 -19.94 65.97 Favored 'General case' 0 C--O 1.209 -1.078 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -176.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.13 -51.73 20.02 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.793 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.76 -37.06 83.86 Favored 'General case' 0 C--O 1.273 2.326 0 CA-C-O 122.102 0.953 . . . . 0.0 109.137 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.49 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 61.9 t60 -57.56 -47.3 82.45 Favored 'General case' 0 C--O 1.198 -1.624 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.847 174.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -62.62 -36.68 83.54 Favored 'General case' 0 CA--C 1.479 -1.753 0 O-C-N 123.855 0.722 . . . . 0.0 110.991 -178.716 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -58.59 -43.67 89.6 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.562 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -76.44 -45.2 32.44 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.457 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 t -54.34 -42.22 69.99 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.54 1.136 . . . . 0.0 110.858 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.447 -0.587 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -177.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.659 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 6.0 m-85 . . . . . 0 N--CA 1.44 -0.945 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.429 HD13 ' O ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -131.55 166.23 29.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 175.158 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -70.43 122.96 20.62 Favored 'General case' 0 C--N 1.284 -2.263 0 CA-C-O 121.373 0.606 . . . . 0.0 110.21 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.11 129.7 39.13 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 172.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -81.54 -9.36 59.71 Favored 'General case' 0 C--N 1.274 -2.707 0 CA-C-O 121.667 0.746 . . . . 0.0 109.792 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -101.04 -10.06 20.85 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -172.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.7 p -149.18 6.16 0.67 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.882 0.372 . . . . 0.0 110.935 170.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.6 36.77 93.13 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.458 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.44 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 17.2 tpt180 -120.21 136.66 54.56 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -171.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.59 99.66 0.16 Allowed 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 125.995 1.718 . . . . 0.0 109.159 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' HD13 ' A' ' 10' ' ' ILE . 59.1 t -135.09 137.39 50.49 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.923 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.659 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 38.7 m -48.66 132.3 17.62 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 123.907 0.883 . . . . 0.0 112.4 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.62 -30.02 66.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.765 0.793 . . . . 0.0 110.433 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -77.46 -24.61 50.23 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.151 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -100.2 -16.01 17.91 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.074 -174.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.557 HD13 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -57.15 -37.7 72.44 Favored 'General case' 0 C--O 1.2 -1.532 0 C-N-CA 124.724 1.21 . . . . 0.0 111.289 -173.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.61 -63.8 1.08 Allowed 'General case' 0 C--O 1.261 1.664 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.53 77.98 Favored 'General case' 0 C--O 1.261 1.661 0 CA-C-O 121.694 0.759 . . . . 0.0 109.439 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -56.38 -45.15 80.69 Favored 'General case' 0 C--O 1.193 -1.89 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.407 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.557 HD23 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.53 -32.71 72.86 Favored 'General case' 0 CA--C 1.476 -1.873 0 O-C-N 123.185 0.303 . . . . 0.0 111.07 -178.112 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -58.99 -43.36 91.45 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -77.7 -38.34 47.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.416 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 22.0 t -62.9 -31.31 72.34 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 124.229 1.012 . . . . 0.0 110.898 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.437 -1.115 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 179.777 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 . . . . . 0 N--CA 1.431 -1.387 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.68 166.87 20.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -78.34 110.73 13.64 Favored 'General case' 0 C--N 1.281 -2.375 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.999 -177.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 44.5 t -70.91 139.18 50.64 Favored 'General case' 0 CA--C 1.484 -1.565 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -111.7 12.43 21.1 Favored 'General case' 0 C--N 1.275 -2.673 0 CA-C-O 122.698 1.237 . . . . 0.0 108.772 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.576 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 16.3 m120 -98.87 -41.4 7.64 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 113.165 -1.834 . . . . 0.0 109.255 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.4 p -120.99 -2.89 9.65 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 120.949 0.404 . . . . 0.0 111.031 172.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.02 33.42 59.6 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.835 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.546 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 21.9 tpt180 -118.63 144.52 46.09 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 122.611 -0.346 . . . . 0.0 111.134 -174.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -79.48 103.7 9.58 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 125.468 1.507 . . . . 0.0 108.595 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 t -132.2 149.86 32.92 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.211 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.494 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.1 m -50.76 124.69 11.55 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.756 1.222 . . . . 0.0 111.311 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.76 -37.82 83.11 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 123.418 0.687 . . . . 0.0 110.744 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -66.87 -24.63 66.15 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.328 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -112.62 6.98 18.6 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -173.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.558 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -64.82 -36.36 84.07 Favored 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 -172.225 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.12 -54.47 44.68 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.67 84.73 Favored 'General case' 0 C--O 1.257 1.488 0 CA-C-O 122.048 0.927 . . . . 0.0 109.08 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 74.4 t60 -59.85 -45.97 90.75 Favored 'General case' 0 C--O 1.18 -2.57 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.906 174.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -63.9 -31.0 72.03 Favored 'General case' 0 CA--C 1.497 -1.085 0 C-N-CA 122.825 0.45 . . . . 0.0 110.824 -178.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -62.72 -48.64 78.33 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -69.08 -30.37 68.66 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.508 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.7 t -74.45 -49.29 22.93 Favored 'General case' 0 C--N 1.295 -1.798 0 C-N-CA 123.598 0.759 . . . . 0.0 110.716 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mm? . . . . . 0 C--N 1.328 -0.364 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 -172.235 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 . . . . . 0 CA--C 1.495 -1.16 0 CA-C-O 120.876 0.37 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 10' ' ' ILE . 10.5 tp -143.25 160.18 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.196 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -69.45 114.6 7.83 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.093 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.85 129.57 38.95 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 104.982 -2.229 . . . . 0.0 104.982 169.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -82.78 -18.23 41.36 Favored 'General case' 0 C--N 1.259 -3.333 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -175.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.611 ' ND2' HD11 ' A' ' 28' ' ' LEU . 68.0 m-20 -89.28 -37.77 14.7 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.757 -1.565 . . . . 0.0 114.581 -171.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -115.76 0.31 13.15 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 118.835 -1.146 . . . . 0.0 110.773 170.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.01 35.14 88.89 Favored Glycine 0 CA--C 1.5 -0.85 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.814 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -119.61 146.12 45.82 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 120.483 -0.487 . . . . 0.0 112.043 -172.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -76.12 102.24 5.65 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 125.3 1.44 . . . . 0.0 107.687 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.3 t -134.84 155.23 38.04 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.672 -176.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.502 ' HB3' ' HB2' ' A' ' 23' ' ' ARG . 37.3 t -58.29 132.55 53.97 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 120.936 0.398 . . . . 0.0 111.916 -178.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.85 -30.18 68.65 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 124.153 0.981 . . . . 0.0 109.173 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -74.27 -25.55 59.68 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.611 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.502 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 62.7 mtp180 -111.13 8.14 21.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.291 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.73 -37.88 85.56 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 122.701 0.4 . . . . 0.0 111.608 -171.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.9 -51.78 65.64 Favored 'General case' 0 C--O 1.259 1.602 0 CA-C-O 121.019 0.438 . . . . 0.0 111.783 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.33 -36.83 85.42 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-O 121.974 0.892 . . . . 0.0 108.721 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -60.94 -42.61 98.53 Favored 'General case' 0 C--O 1.186 -2.271 0 CA-C-N 114.134 -1.393 . . . . 0.0 109.946 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.611 HD11 ' ND2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -66.17 -31.79 72.84 Favored 'General case' 0 CA--C 1.479 -1.759 0 CA-C-N 117.728 0.24 . . . . 0.0 110.875 -178.657 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -64.35 -43.03 95.84 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.432 174.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -69.29 -39.8 78.1 Favored 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 11.9 t -65.16 -61.73 1.96 Allowed 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 125.915 1.686 . . . . 0.0 110.937 -177.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 mt . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 115.969 1.841 . . . . 0.0 115.969 -172.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 . . . . . 0 N--CA 1.439 -1.019 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.18 166.47 26.73 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -77.54 117.72 19.26 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-O 121.178 0.513 . . . . 0.0 112.379 -173.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.592 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 53.5 t -77.58 137.41 38.57 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 173.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -93.29 -15.49 25.75 Favored 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.592 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 17.4 m120 -75.49 -43.71 47.74 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 113.838 -1.528 . . . . 0.0 111.675 -171.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.532 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 24.2 p -117.07 2.26 12.65 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.245 171.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 65.79 35.28 90.71 Favored Glycine 0 C--N 1.338 0.644 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.311 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.532 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 14.3 ttp180 -120.8 149.64 42.25 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -174.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -79.18 102.86 8.74 Favored 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 125.375 1.47 . . . . 0.0 107.407 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -124.01 145.01 31.81 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.383 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.756 -174.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.642 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 75.6 m -45.29 122.99 3.74 Favored 'General case' 0 C--O 1.214 -0.773 0 C-N-CA 125.896 1.678 . . . . 0.0 111.851 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.65 -46.62 77.44 Favored 'General case' 0 CA--C 1.5 -0.959 0 C-N-CA 124.326 1.05 . . . . 0.0 111.565 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.74 -23.04 62.36 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 122.012 0.91 . . . . 0.0 110.251 -177.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.642 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 15.0 tpp180 -99.3 -11.99 20.74 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.132 -173.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.544 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 24.8 tp -65.13 -19.97 66.24 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -173.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.75 -64.4 0.87 Allowed 'General case' 0 C--O 1.242 0.692 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 175.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.24 73.52 Favored 'General case' 0 C--O 1.251 1.18 0 CA-C-O 122.12 0.962 . . . . 0.0 109.607 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.544 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 76.6 t60 -58.7 -47.39 84.7 Favored 'General case' 0 C--O 1.191 -1.985 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.297 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -37.83 88.36 Favored 'General case' 0 CA--C 1.486 -1.484 0 O-C-N 123.557 0.536 . . . . 0.0 110.855 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.79 -40.46 88.39 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.884 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -75.77 -44.14 42.98 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.056 0.455 . . . . 0.0 110.895 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.0 t -61.62 -30.19 70.54 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 124.804 1.242 . . . . 0.0 111.523 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.319 -0.725 0 O-C-N 122.161 -0.337 . . . . 0.0 110.618 -177.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 CA--C 1.499 -1.014 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.402 ' HA ' HD12 ' A' ' 10' ' ' ILE . 11.2 tp -113.09 152.18 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.703 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 -177.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -81.08 123.16 28.16 Favored 'General case' 0 N--CA 1.424 -1.725 0 C-N-CA 118.53 -1.268 . . . . 0.0 108.545 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.474 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 39.9 t -71.3 141.87 50.48 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -87.15 -17.43 32.76 Favored 'General case' 0 C--N 1.278 -2.53 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.53 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 3.2 t30 -85.64 -41.58 15.08 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.855 -169.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.1 p -118.81 4.86 11.5 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.607 174.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 12' ' ' CYS . . . 61.47 35.56 91.24 Favored Glycine 0 N--CA 1.479 1.556 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.882 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' H ' ' HB3' ' A' ' 12' ' ' CYS . 23.2 ttt85 -121.12 148.88 43.6 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -171.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -75.39 97.78 3.72 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.075 1.75 . . . . 0.0 109.556 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 t -129.66 145.8 35.14 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.587 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.429 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 6.2 m -46.79 128.34 10.7 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.598 1.159 . . . . 0.0 111.633 -175.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.4 -42.12 77.42 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 124.936 1.294 . . . . 0.0 111.321 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -70.1 -25.41 63.49 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.598 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.429 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 24.7 mmt180 -99.76 -3.96 31.67 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.649 -172.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.56 HD13 HD23 ' A' ' 28' ' ' LEU . 1.1 tm? -59.84 -37.92 80.61 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 123.133 0.271 . . . . 0.0 110.375 -174.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.46 -62.18 1.97 Allowed 'General case' 0 C--N 1.315 -0.919 0 O-C-N 123.277 0.361 . . . . 0.0 111.916 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.57 79.22 Favored 'General case' 0 C--O 1.251 1.173 0 CA-C-O 121.995 0.902 . . . . 0.0 109.496 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -58.03 -45.0 87.66 Favored 'General case' 0 C--O 1.181 -2.506 0 CA-C-N 114.156 -1.384 . . . . 0.0 109.247 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.56 HD23 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -67.21 -36.24 81.29 Favored 'General case' 0 CA--C 1.48 -1.739 0 O-C-N 123.355 0.409 . . . . 0.0 110.901 -177.747 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -60.71 -41.0 94.36 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 119.137 -1.025 . . . . 0.0 110.11 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 ttp-105 -74.32 -44.99 50.21 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.552 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.53 ' SG ' ' HB3' ' A' ' 14' ' ' ASN . 25.1 t -57.43 -40.75 79.03 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 125.284 1.434 . . . . 0.0 110.342 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.437 -1.088 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.358 -174.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.554 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 35.0 m-85 . . . . . 0 N--CA 1.428 -1.563 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HA ' HD12 ' A' ' 10' ' ' ILE . 9.4 tp -124.89 154.08 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.768 0 N-CA-C 105.267 -2.123 . . . . 0.0 105.267 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -86.27 124.62 32.84 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 117.203 -1.799 . . . . 0.0 109.541 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 42.3 t -70.87 130.08 40.71 Favored 'General case' 0 CA--C 1.472 -2.044 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -99.97 8.17 44.25 Favored 'General case' 0 C--N 1.262 -3.197 0 CA-C-O 122.072 0.939 . . . . 0.0 110.188 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.436 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 16.3 m-80 -96.01 -16.91 21.36 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.215 -1.357 . . . . 0.0 111.192 176.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 27.2 p -146.32 -3.1 0.66 Allowed 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.786 0.327 . . . . 0.0 111.761 173.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.46 41.18 67.35 Favored Glycine 0 CA--C 1.506 -0.524 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.892 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.524 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 57.7 ttt180 -120.94 136.96 54.83 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.85 110.19 10.09 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 124.478 1.111 . . . . 0.0 108.813 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.7 t -137.53 141.95 38.02 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.542 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.071 -177.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.554 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 20.1 m -48.16 127.4 12.5 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.812 0.845 . . . . 0.0 110.468 176.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.54 -32.29 62.83 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.706 0.802 . . . . 0.0 111.054 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -76.4 -23.36 54.04 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.699 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -96.13 -10.37 28.41 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -175.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.48 HD13 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -58.88 -38.59 79.16 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.491 -172.194 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.42 -58.41 7.57 Favored 'General case' 0 C--O 1.249 1.054 0 C-N-CA 122.727 0.411 . . . . 0.0 111.718 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.28 91.87 Favored 'General case' 0 C--O 1.262 1.711 0 CA-C-O 121.855 0.836 . . . . 0.0 109.279 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -58.05 -45.39 87.11 Favored 'General case' 0 C--O 1.201 -1.477 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.885 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.48 HD23 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.71 -30.36 69.0 Favored 'General case' 0 C--O 1.193 -1.916 0 O-C-N 123.311 0.382 . . . . 0.0 110.833 -177.1 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -63.64 -41.38 98.26 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.672 174.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -71.72 -41.22 68.8 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.623 0.725 . . . . 0.0 109.331 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 11.6 t -68.63 -24.25 64.53 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 125.001 1.32 . . . . 0.0 111.531 -178.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -177.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 91.3 m-85 . . . . . 0 N--CA 1.423 -1.795 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 10' ' ' ILE . 9.9 tp -118.46 148.0 21.6 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.065 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -75.28 115.26 14.73 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.624 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 51.5 t -71.54 134.63 46.61 Favored 'General case' 0 N--CA 1.413 -2.294 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 176.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.502 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -97.58 -8.2 29.54 Favored 'General case' 0 C--N 1.26 -3.323 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -178.155 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.624 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 23.3 m-80 -82.25 -38.54 24.32 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 113.578 -1.647 . . . . 0.0 111.499 -177.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.513 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.8 p -126.31 -0.96 6.99 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.423 173.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.74 37.22 76.06 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.503 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.513 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 6.6 ttp180 -121.39 152.94 38.45 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -176.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -86.19 101.48 13.05 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 125.108 1.363 . . . . 0.0 108.888 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -129.93 145.77 35.15 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.019 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.727 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 45.6 m -58.3 130.3 46.07 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 123.474 0.71 . . . . 0.0 111.107 -177.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.72 -25.14 66.22 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 123.451 0.7 . . . . 0.0 110.677 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -77.06 -17.47 58.73 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.66 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -116.23 -2.09 12.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.814 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.486 HD13 HD23 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -59.01 -39.31 81.5 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.776 -170.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -59.23 -55.27 37.06 Favored 'General case' 0 C--O 1.248 0.974 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.6 -36.98 83.93 Favored 'General case' 0 C--O 1.276 2.463 0 CA-C-O 121.852 0.834 . . . . 0.0 109.55 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -55.52 -49.56 72.28 Favored 'General case' 0 C--O 1.199 -1.568 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.106 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.534 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -64.47 -33.32 75.61 Favored 'General case' 0 CA--C 1.493 -1.226 0 O-C-N 123.708 0.63 . . . . 0.0 110.918 -177.664 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 30.3 mm-40 -59.11 -45.3 91.25 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -74.38 -43.77 55.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.439 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.534 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 32.0 t -53.53 -46.45 70.16 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 125.075 1.35 . . . . 0.0 110.802 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.442 -0.831 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.31 -175.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 75.3 m-85 . . . . . 0 N--CA 1.434 -1.268 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 10' ' ' ILE . 11.3 tp -144.48 150.38 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.331 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 178.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -71.98 130.17 40.34 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 118.441 -1.304 . . . . 0.0 109.739 176.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.574 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 38.3 t -71.67 138.58 48.73 Favored 'General case' 0 N--CA 1.416 -2.16 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 175.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -86.31 -14.36 43.86 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.574 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 31.7 m-80 -84.2 -49.99 8.3 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.434 -1.257 . . . . 0.0 112.589 -175.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.5 p -114.82 8.73 16.11 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.457 175.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.41 33.08 85.19 Favored Glycine 0 N--CA 1.468 0.808 0 C-N-CA 121.583 -0.341 . . . . 0.0 112.572 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 11.1 ttp180 -120.44 133.05 55.48 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -172.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.92 104.62 0.72 Allowed 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 125.427 1.491 . . . . 0.0 109.683 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -134.77 151.3 31.14 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.851 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.2 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 44.1 t -56.91 130.45 45.94 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 120.911 0.386 . . . . 0.0 110.563 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.47 -12.82 61.96 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.62 0.724 . . . . 0.0 110.431 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -93.35 -9.91 37.16 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.869 0.842 . . . . 0.0 109.634 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -115.0 -6.19 12.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.236 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -58.35 -37.91 76.13 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 124.106 0.962 . . . . 0.0 112.609 -170.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.21 -58.57 6.76 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.08 75.38 Favored 'General case' 0 C--O 1.272 2.256 0 CA-C-O 122.19 0.995 . . . . 0.0 109.233 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -58.37 -46.66 85.89 Favored 'General case' 0 C--O 1.187 -2.193 0 CA-C-N 113.779 -1.555 . . . . 0.0 108.997 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.438 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -61.66 -38.14 86.66 Favored 'General case' 0 CA--C 1.482 -1.669 0 O-C-N 123.622 0.576 . . . . 0.0 110.846 -178.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.33 -40.81 95.59 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 119.162 -1.015 . . . . 0.0 110.747 175.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -73.55 -40.48 63.93 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.1 t -62.7 -39.55 94.35 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 125.801 1.641 . . . . 0.0 110.508 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.439 -1.014 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 32.0 m-85 . . . . . 0 N--CA 1.414 -2.264 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 10' ' ' ILE . 9.5 tp -112.49 154.67 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.927 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -76.29 115.3 15.89 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.302 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 53.7 t -79.65 129.63 34.65 Favored 'General case' 0 N--CA 1.414 -2.244 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 172.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -13.0 28.97 Favored 'General case' 0 C--N 1.268 -2.943 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.633 ' ND2' HD11 ' A' ' 28' ' ' LEU . 50.4 m-20 -75.34 -37.47 60.67 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 114.032 -1.44 . . . . 0.0 113.016 -175.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.2 p -123.88 0.03 8.54 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.637 170.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.09 41.04 92.97 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.958 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 79.2 ttt180 -120.71 153.5 36.87 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -174.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -99.34 99.01 9.89 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -175.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.3 t -125.65 146.79 30.79 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.172 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 -171.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 6.1 m -49.43 122.16 5.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.547 1.139 . . . . 0.0 110.534 -178.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.32 -30.27 59.89 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.172 0.989 . . . . 0.0 112.546 -175.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -80.14 -18.09 50.74 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.39 0.614 . . . . 0.0 111.057 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -108.28 2.0 22.36 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.602 -177.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.504 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -65.13 -36.02 82.95 Favored 'General case' 0 C--O 1.205 -1.286 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.371 -174.418 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -53.12 -61.68 2.14 Favored 'General case' 0 C--O 1.251 1.135 0 C-N-CA 122.901 0.48 . . . . 0.0 112.231 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.21 -35.07 79.47 Favored 'General case' 0 C--O 1.25 1.129 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 71.8 t60 -54.03 -52.12 61.85 Favored 'General case' 0 C--O 1.196 -1.738 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.309 174.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.633 HD11 ' ND2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -63.74 -34.56 78.15 Favored 'General case' 0 CA--C 1.482 -1.658 0 O-C-N 123.75 0.656 . . . . 0.0 110.964 -177.088 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 22.9 mm-40 -59.95 -46.34 89.72 Favored 'General case' 0 C--O 1.203 -1.371 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.05 178.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -74.7 -41.84 59.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.9 0.381 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.501 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 37.2 t -51.98 -53.95 35.5 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 125.284 1.434 . . . . 0.0 110.33 177.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 32' ' ' LEU . 14.9 mt . . . . . 0 N--CA 1.44 -0.925 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 . . . . . 0 N--CA 1.429 -1.475 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 tp -130.13 154.87 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.393 -3.312 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -71.85 120.39 17.38 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' H ' ' A' ' 17' ' ' ARG . 35.3 t -70.87 128.09 34.83 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 175.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -83.22 -5.91 59.29 Favored 'General case' 0 C--N 1.277 -2.568 0 O-C-N 123.743 0.652 . . . . 0.0 109.646 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -93.08 -57.04 2.75 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.668 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 28.3 p -103.87 1.7 31.75 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.998 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.54 37.6 89.82 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.524 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.571 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 25.1 ttp180 -121.37 140.27 52.34 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -78.95 103.06 8.64 Favored 'General case' 0 CA--C 1.498 -1.026 0 C-N-CA 124.442 1.097 . . . . 0.0 108.529 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.413 ' CG2' ' HG2' ' A' ' 17' ' ' ARG . 43.8 t -132.42 149.56 32.41 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.364 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.874 -176.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -49.77 119.94 3.9 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.618 0.767 . . . . 0.0 111.911 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.02 73.11 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 124.864 1.266 . . . . 0.0 110.778 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -62.29 -26.72 68.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.95 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.22 15.7 15.92 Favored 'General case' 0 N--CA 1.428 -1.553 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.43 -174.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.462 HD13 HD23 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -66.5 -36.44 82.72 Favored 'General case' 0 C--O 1.198 -1.615 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -174.446 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.48 -48.72 78.38 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 120.666 0.269 . . . . 0.0 111.362 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.5 -42.23 95.97 Favored 'General case' 0 C--O 1.25 1.093 0 CA-C-O 121.984 0.897 . . . . 0.0 108.813 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -60.32 -43.43 96.4 Favored 'General case' 0 C--O 1.174 -2.9 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.822 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -67.5 -31.85 72.25 Favored 'General case' 0 CA--C 1.482 -1.647 0 CA-C-N 117.952 0.342 . . . . 0.0 111.152 -177.793 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -67.12 -37.44 83.88 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 119.019 -1.072 . . . . 0.0 109.615 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -70.44 -45.83 65.06 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 176.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 29.7 t -60.43 -42.07 95.33 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 126.408 1.883 . . . . 0.0 110.647 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.429 -1.504 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.719 -175.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 . . . . . 0 CA--C 1.499 -1.0 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 10' ' ' ILE . 8.9 tp -136.3 152.71 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.171 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -80.38 114.55 19.36 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 50.4 t -71.62 135.2 46.84 Favored 'General case' 0 N--CA 1.42 -1.944 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 177.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -92.4 -12.33 32.52 Favored 'General case' 0 C--N 1.269 -2.904 0 CA-C-O 122.116 0.96 . . . . 0.0 108.508 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.499 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 19.8 m120 -87.64 -14.29 40.38 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.107 -1.406 . . . . 0.0 112.136 -173.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.3 p -147.37 2.32 0.74 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 171.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 63.45 36.86 93.94 Favored Glycine 0 C--O 1.22 -0.761 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.694 -177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 20.3 tpp180 -119.96 147.38 44.84 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 -174.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -84.36 105.84 15.5 Favored 'General case' 0 CA--C 1.488 -1.41 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 51.4 t -129.0 149.68 33.92 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.19 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.355 -174.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.2 m -53.35 126.98 23.11 Favored 'General case' 0 N--CA 1.428 -1.568 0 C-N-CA 123.746 0.818 . . . . 0.0 111.323 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.65 88.04 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 124.666 1.186 . . . . 0.0 110.996 -177.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -62.97 -26.88 69.05 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.828 0.823 . . . . 0.0 110.684 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -98.31 -6.7 30.39 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.409 -174.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.54 HD13 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -58.1 -39.23 78.11 Favored 'General case' 0 C--O 1.206 -1.197 0 O-C-N 123.353 0.408 . . . . 0.0 111.487 -172.11 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.06 -58.88 6.03 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-O 121.029 0.442 . . . . 0.0 111.771 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.9 83.3 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-O 121.837 0.827 . . . . 0.0 109.396 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -57.65 -44.59 85.75 Favored 'General case' 0 C--O 1.187 -2.195 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.422 175.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.54 HD23 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -67.19 -34.83 78.35 Favored 'General case' 0 CA--C 1.477 -1.85 0 O-C-N 123.401 0.438 . . . . 0.0 110.591 -177.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -59.81 -43.48 94.49 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -72.31 -45.22 60.93 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.477 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 18.4 t -58.16 -44.37 87.89 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.474 1.51 . . . . 0.0 110.695 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.32 -0.688 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -176.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.6 OUTLIER . . . . . 0 CA--C 1.5 -0.974 0 CA-C-O 120.921 0.391 . . . . 0.0 110.103 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.8 tp -126.42 160.29 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.911 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -80.03 115.42 19.59 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 53.8 t -71.49 133.73 46.05 Favored 'General case' 0 N--CA 1.421 -1.878 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 175.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.02 2.03 45.89 Favored 'General case' 0 C--N 1.27 -2.851 0 CA-C-O 122.472 1.13 . . . . 0.0 108.98 -176.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.626 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 35.5 m-80 -93.22 -56.15 3.06 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.838 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -103.41 -6.47 21.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.463 174.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.61 35.71 50.66 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.715 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -120.94 152.24 38.74 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.835 -175.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.75 104.13 11.92 Favored 'General case' 0 CA--C 1.495 -1.146 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.1 t -129.88 144.94 36.53 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.877 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.536 -175.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 47.5 t -53.54 131.63 38.85 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.459 0.704 . . . . 0.0 110.651 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.21 -30.22 68.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.637 0.732 . . . . 0.0 109.854 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -71.34 -27.06 63.1 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.601 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -93.18 -27.19 17.04 Favored 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.009 -176.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.463 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -43.64 -43.98 6.1 Favored 'General case' 0 C--O 1.196 -1.712 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -173.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.56 -59.38 5.54 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-O 121.084 0.469 . . . . 0.0 111.821 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.78 78.98 Favored 'General case' 0 C--O 1.257 1.458 0 CA-C-O 122.355 1.074 . . . . 0.0 109.494 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.463 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 70.9 t60 -60.88 -43.02 99.01 Favored 'General case' 0 C--O 1.188 -2.166 0 CA-C-N 114.264 -1.334 . . . . 0.0 110.028 175.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.51 -35.31 80.53 Favored 'General case' 0 CA--C 1.475 -1.907 0 CA-C-N 117.92 0.327 . . . . 0.0 110.469 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -57.67 -45.81 85.09 Favored 'General case' 0 N--CA 1.444 -0.755 0 O-C-N 123.999 0.812 . . . . 0.0 108.86 175.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -72.04 -45.77 59.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.103 0.478 . . . . 0.0 110.247 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.2 t -57.39 -43.92 84.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.094 1.357 . . . . 0.0 110.099 -177.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.8 mt . . . . . 0 C--O 1.235 0.327 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.728 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 CA--C 1.5 -0.945 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 10' ' ' ILE . 9.7 tp -139.5 155.44 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.643 0 N-CA-C 105.901 -1.889 . . . . 0.0 105.901 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -79.63 128.57 33.56 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 117.998 -1.481 . . . . 0.0 109.94 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 41.7 t -71.95 130.28 40.6 Favored 'General case' 0 N--CA 1.407 -2.607 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 173.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -92.26 -0.05 57.43 Favored 'General case' 0 C--N 1.263 -3.194 0 CA-C-O 121.671 0.748 . . . . 0.0 109.412 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.6 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 16.4 m120 -93.55 -57.2 2.65 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.772 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 p -97.93 -14.26 20.74 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 120.201 -0.599 . . . . 0.0 111.528 174.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.87 38.05 17.3 Favored Glycine 0 CA--C 1.505 -0.555 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.561 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -121.33 140.91 51.47 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -75.3 104.34 5.83 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 177.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.0 t -128.83 153.64 38.66 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.649 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.343 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 17.2 m -56.42 123.84 16.08 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 123.692 0.797 . . . . 0.0 111.065 -179.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.78 -36.48 72.21 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 124.717 1.207 . . . . 0.0 112.254 -175.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -75.31 -19.41 59.67 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.589 0.709 . . . . 0.0 110.671 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.413 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 75.2 mtp180 -106.87 3.66 26.54 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.485 -174.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -66.78 -35.34 79.85 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.141 -173.367 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.92 -55.88 28.66 Favored 'General case' 0 C--O 1.254 1.321 0 C-N-CA 122.533 0.333 . . . . 0.0 111.84 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.1 93.42 Favored 'General case' 0 C--O 1.258 1.525 0 CA-C-O 122.133 0.968 . . . . 0.0 108.947 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -57.88 -44.62 86.8 Favored 'General case' 0 C--O 1.19 -2.045 0 CA-C-N 113.801 -1.545 . . . . 0.0 109.499 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -64.05 -35.94 82.36 Favored 'General case' 0 CA--C 1.475 -1.925 0 O-C-N 123.096 0.248 . . . . 0.0 111.135 -179.286 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -62.22 -40.09 94.97 Favored 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.389 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -72.41 -43.01 64.48 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.784 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 t -59.58 -45.69 91.12 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 125.504 1.522 . . . . 0.0 109.654 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.546 0.796 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.857 -177.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 1.4 m-85 . . . . . 0 N--CA 1.431 -1.391 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.5 tp -126.27 154.83 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.555 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -76.74 110.16 11.1 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.035 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 48.3 t -71.52 136.22 47.44 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 175.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -101.62 0.69 36.71 Favored 'General case' 0 C--N 1.279 -2.483 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.55 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 14.4 m120 -89.13 -39.14 13.8 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.147 -177.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.1 p -121.93 0.31 9.69 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.02 0.438 . . . . 0.0 110.211 172.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.91 37.01 91.9 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.171 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 1.6 tpm_? -119.92 143.17 48.12 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -174.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -79.82 101.79 8.71 Favored 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.3 t -128.26 149.23 32.93 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.466 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.591 -175.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 11.8 m -45.5 119.12 2.0 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.589 1.155 . . . . 0.0 111.834 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.61 -48.79 71.78 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 126.035 1.734 . . . . 0.0 112.451 -173.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -73.81 -14.28 61.07 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.382 -175.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -114.56 9.61 16.65 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-O 121.626 0.727 . . . . 0.0 109.598 -175.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.497 HD13 HD23 ' A' ' 28' ' ' LEU . 1.3 tm? -62.81 -34.21 76.83 Favored 'General case' 0 C--O 1.206 -1.201 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.876 -175.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.56 -58.77 5.97 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.53 0.732 . . . . 0.0 112.287 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.91 89.22 Favored 'General case' 0 C--O 1.286 3.013 0 CA-C-O 122.215 1.007 . . . . 0.0 109.507 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -56.48 -47.1 79.95 Favored 'General case' 0 C--O 1.192 -1.947 0 CA-C-N 113.601 -1.636 . . . . 0.0 109.293 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.516 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -64.95 -35.92 82.74 Favored 'General case' 0 CA--C 1.478 -1.799 0 O-C-N 123.699 0.624 . . . . 0.0 111.24 -177.405 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -57.65 -44.98 86.06 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 123.577 0.548 . . . . 0.0 109.603 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -77.04 -38.07 53.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.999 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.516 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 45.7 t -60.56 -40.2 90.76 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 124.775 1.23 . . . . 0.0 110.742 178.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tm? . . . . . 0 N--CA 1.432 -1.359 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.195 -177.091 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 N--CA 1.428 -1.571 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.516 HG23 HD22 ' A' ' 24' ' ' LEU . 10.3 tp -126.45 153.3 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.087 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -75.71 127.12 32.36 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.738 -0.785 . . . . 0.0 110.505 -178.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 46.5 t -75.02 125.92 29.92 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 170.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -92.3 4.85 52.48 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-O 121.972 0.891 . . . . 0.0 109.472 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.612 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 34.5 m-80 -93.59 -36.43 12.39 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.911 179.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.8 p -131.2 11.92 5.04 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.239 175.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 57.96 43.02 95.14 Favored Glycine 0 C--N 1.348 1.234 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.42 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 78.0 ttt180 -121.16 139.6 53.14 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 115.492 -0.354 . . . . 0.0 111.895 -172.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -84.34 104.1 14.08 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 123.871 0.869 . . . . 0.0 108.933 -176.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.7 t -129.65 144.13 39.02 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.595 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.505 -176.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 t -45.98 130.76 9.87 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 124.37 1.068 . . . . 0.0 109.485 174.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.26 -25.35 67.79 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.372 0.606 . . . . 0.0 110.164 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -72.4 -39.24 68.1 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.274 178.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -88.24 -24.14 23.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.781 -174.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.516 HD22 HG23 ' A' ' 10' ' ' ILE . 37.7 tp -58.67 -22.53 57.2 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -173.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -65.41 -60.81 2.56 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-O 121.028 0.442 . . . . 0.0 110.978 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.66 -33.3 75.35 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-O 121.926 0.869 . . . . 0.0 108.87 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.516 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 60.8 t60 -59.11 -45.88 89.75 Favored 'General case' 0 C--O 1.196 -1.738 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.58 175.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.563 HD11 ' ND2' ' A' ' 14' ' ' ASN . 0.7 OUTLIER -62.92 -37.47 87.12 Favored 'General case' 0 CA--C 1.471 -2.091 0 CA-C-N 117.936 0.335 . . . . 0.0 110.865 178.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 26.8 mm-40 -58.25 -42.62 86.81 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 123.768 0.668 . . . . 0.0 109.753 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -79.61 -42.36 25.08 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.525 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.0 t -54.26 -44.16 71.58 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.487 1.115 . . . . 0.0 110.028 177.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 N--CA 1.447 -0.576 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.873 178.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 . . . . . 0 N--CA 1.433 -1.306 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 10' ' ' ILE . 9.1 tp -130.25 159.93 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.068 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -87.38 117.11 25.93 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.647 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 42.6 t -73.26 127.77 33.57 Favored 'General case' 0 N--CA 1.424 -1.759 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 175.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -85.43 -15.56 42.59 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.573 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 29.8 m-80 -84.4 -22.81 30.31 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 113.906 -1.497 . . . . 0.0 113.183 -172.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 24.9 p -140.69 1.25 1.7 Allowed 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.326 173.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.84 42.94 96.77 Favored Glycine 0 C--O 1.219 -0.794 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -176.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 77.9 ttt180 -121.51 149.89 42.42 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 120.196 -0.602 . . . . 0.0 111.817 -174.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -86.56 106.88 17.85 Favored 'General case' 0 CA--C 1.488 -1.411 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.3 t -132.14 143.19 40.8 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.799 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.422 -176.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 m -46.36 121.42 3.38 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 124.273 1.029 . . . . 0.0 111.227 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.23 -38.43 79.97 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 124.548 1.139 . . . . 0.0 112.157 -175.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -67.0 -22.08 65.92 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.405 0.621 . . . . 0.0 111.494 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 ttp85 -112.73 11.85 19.53 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.14 -175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.539 HD13 HD23 ' A' ' 28' ' ' LEU . 1.4 tm? -68.3 -41.69 80.53 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 121.831 -0.543 . . . . 0.0 111.31 -174.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -62.52 -44.07 97.26 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 111.516 0.191 . . . . 0.0 111.516 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.83 -40.62 88.03 Favored 'General case' 0 C--O 1.261 1.695 0 CA-C-O 122.278 1.037 . . . . 0.0 108.7 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -59.92 -41.64 92.18 Favored 'General case' 0 C--O 1.191 -2.001 0 CA-C-N 114.104 -1.407 . . . . 0.0 109.657 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.539 HD23 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -65.91 -32.01 73.28 Favored 'General case' 0 CA--C 1.486 -1.484 0 C-N-CA 122.547 0.339 . . . . 0.0 110.924 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 25.7 mm-40 -62.55 -45.71 91.68 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 174.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -67.32 -42.7 83.19 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.994 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.5 t -61.94 -40.79 96.72 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 124.521 1.128 . . . . 0.0 110.059 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.934 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.37 -50.92 0.07 Allowed 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -86.38 -0.7 56.5 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.473 0.654 . . . . 0.0 111.266 -178.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -81.36 96.55 7.37 Favored 'General case' 0 C--N 1.295 -1.766 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.083 -179.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -74.72 139.39 43.4 Favored 'General case' 0 C--N 1.31 -1.15 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.4 m -84.1 83.05 8.1 Favored 'General case' 0 N--CA 1.418 -2.072 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.6 m -74.11 -31.47 62.8 Favored 'General case' 0 N--CA 1.427 -1.591 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.196 178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 57.07 103.03 0.02 OUTLIER 'General case' 0 C--O 1.209 -1.053 0 C-N-CA 125.627 1.571 . . . . 0.0 112.127 175.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -86.9 123.89 32.52 Favored 'General case' 0 C--N 1.282 -2.347 0 C-N-CA 118.068 -1.453 . . . . 0.0 109.876 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.5 pt -120.66 167.78 13.74 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -83.08 112.8 20.13 Favored 'General case' 0 C--N 1.276 -2.624 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.14 -176.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 43.2 t -72.27 138.24 47.3 Favored 'General case' 0 N--CA 1.421 -1.915 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 174.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.464 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -95.94 -9.94 29.95 Favored 'General case' 0 C--N 1.271 -2.829 0 CA-C-O 122.069 0.938 . . . . 0.0 108.524 -177.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.444 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 15.7 m-80 -84.92 -37.38 20.62 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 114.46 -1.245 . . . . 0.0 112.529 -176.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.5 p -124.6 -3.68 7.79 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.177 0.513 . . . . 0.0 110.898 173.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.17 36.58 60.14 Favored Glycine 0 C--O 1.222 -0.622 0 C-N-CA 121.022 -0.609 . . . . 0.0 112.193 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.571 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 7.9 tpt180 -119.38 144.67 46.77 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 112.54 0.571 . . . . 0.0 112.54 -175.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -68.73 102.13 1.46 Allowed 'General case' 0 C--N 1.312 -1.026 0 C-N-CA 126.848 2.059 . . . . 0.0 108.146 172.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.453 HG11 ' CG ' ' A' ' 27' ' ' HIS . 49.1 t -133.15 151.33 33.8 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.241 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.842 -177.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m -61.81 126.61 27.97 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.67 -24.88 67.97 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 124.271 1.028 . . . . 0.0 109.219 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -78.4 -7.83 57.8 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.297 -1.32 . . . . 0.0 110.374 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -131.7 8.25 4.51 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.979 -177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.445 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -65.34 -37.31 86.67 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.044 -170.496 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.29 -50.19 66.66 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.71 -39.36 94.11 Favored 'General case' 0 C--O 1.272 2.276 0 CA-C-O 122.721 1.248 . . . . 0.0 108.716 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.453 ' CG ' HG11 ' A' ' 19' ' ' VAL . 67.7 t60 -58.44 -44.73 89.27 Favored 'General case' 0 C--O 1.187 -2.185 0 CA-C-N 113.235 -1.802 . . . . 0.0 109.086 175.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -63.55 -35.29 80.01 Favored 'General case' 0 CA--C 1.483 -1.605 0 O-C-N 123.472 0.483 . . . . 0.0 111.331 -178.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.511 ' N ' HE21 ' A' ' 29' ' ' GLN . 0.0 OUTLIER -58.36 -48.28 81.11 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 174.726 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -69.31 -41.6 76.53 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.127 0.489 . . . . 0.0 110.027 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.469 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 33.6 t -62.21 -48.13 81.39 Favored 'General case' 0 C--N 1.307 -1.269 0 C-N-CA 125.057 1.343 . . . . 0.0 111.371 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -74.02 -34.68 64.23 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.876 -0.786 . . . . 0.0 108.876 -176.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.4 t -61.58 -46.43 89.92 Favored 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 176.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -76.26 -36.12 58.61 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.983 -179.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.89 48.89 4.14 Favored Glycine 0 N--CA 1.436 -1.333 0 CA-C-N 115.942 -0.572 . . . . 0.0 113.59 -176.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.11 92.1 7.82 Favored 'General case' 0 N--CA 1.429 -1.512 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 174.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -89.56 137.47 32.3 Favored 'General case' 0 N--CA 1.43 -1.458 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.672 -174.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 . . . . . 0 C--N 1.292 -1.925 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.617 0 N-CA-C 111.539 -0.624 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -86.26 110.57 19.72 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 66.99 -169.4 0.2 Allowed 'General case' 0 C--O 1.244 0.772 0 O-C-N 124.667 1.229 . . . . 0.0 111.611 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -85.49 160.58 19.66 Favored 'General case' 0 C--N 1.308 -1.197 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.97 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 72.08 -47.19 0.66 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.047 1.739 . . . . 0.0 112.531 177.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 t -62.58 111.23 1.98 Allowed 'General case' 0 N--CA 1.43 -1.426 0 C-N-CA 123.798 0.839 . . . . 0.0 110.662 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.5 t 68.32 16.61 9.28 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.246 1.418 . . . . 0.0 110.819 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -100.16 0.22 40.13 Favored 'General case' 0 CA--C 1.51 -0.593 0 N-CA-C 112.2 0.444 . . . . 0.0 112.2 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -87.13 138.86 31.13 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 119.304 -0.958 . . . . 0.0 110.772 -178.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.03 166.76 27.8 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 N-CA-C 108.264 -1.014 . . . . 0.0 108.264 178.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -73.07 114.81 11.65 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-N 115.575 -0.738 . . . . 0.0 110.309 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.47 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 50.4 t -71.18 129.59 39.31 Favored 'General case' 0 N--CA 1.431 -1.401 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 174.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -87.52 -6.8 58.2 Favored 'General case' 0 C--N 1.269 -2.901 0 CA-C-O 122.294 1.045 . . . . 0.0 108.521 -176.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.47 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 39.8 m-80 -98.13 -16.75 19.4 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 114.072 -1.422 . . . . 0.0 113.413 -175.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.476 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.5 p -148.1 2.29 0.67 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 120.606 -0.438 . . . . 0.0 111.677 173.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.85 35.94 90.36 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 121.031 -0.604 . . . . 0.0 112.405 -178.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.476 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 74.2 ttt180 -119.15 149.02 42.42 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 120.313 -0.555 . . . . 0.0 111.133 -174.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -80.88 105.05 11.81 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 124.84 1.256 . . . . 0.0 107.876 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.33 145.67 34.25 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.359 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.195 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.45 ' HB3' ' HB2' ' A' ' 23' ' ' ARG . 30.1 t -58.85 126.74 28.91 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.507 0.723 . . . . 0.0 109.492 -179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.65 -32.37 70.39 Favored 'General case' 0 CA--C 1.503 -0.862 0 C-N-CA 123.832 0.853 . . . . 0.0 111.219 -178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -76.13 -29.02 57.67 Favored 'General case' 0 C--N 1.303 -1.421 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.378 -177.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.45 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 1.2 mpt_? -101.58 2.38 38.89 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.924 -177.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.469 HD13 HD23 ' A' ' 28' ' ' LEU . 1.2 tm? -62.82 -36.18 82.35 Favored 'General case' 0 C--O 1.207 -1.15 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.222 -173.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -57.03 -54.18 49.71 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 123.401 0.438 . . . . 0.0 112.147 178.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.53 -39.75 95.23 Favored 'General case' 0 C--O 1.27 2.178 0 CA-C-O 122.153 0.978 . . . . 0.0 109.111 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -59.34 -45.35 91.62 Favored 'General case' 0 C--O 1.189 -2.129 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.079 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.471 HD13 HD23 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -67.85 -28.69 67.76 Favored 'General case' 0 CA--C 1.488 -1.404 0 C-N-CA 122.535 0.334 . . . . 0.0 111.256 -178.077 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 29.8 mm-40 -63.28 -45.61 90.63 Favored 'General case' 0 N--CA 1.431 -1.415 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HE ' ' HB2' ' A' ' 30' ' ' ARG . 15.2 ttm180 -74.96 -38.71 61.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.66 -179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 13.0 t -60.02 -37.8 80.8 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 124.801 1.24 . . . . 0.0 109.914 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.471 HD23 HD13 ' A' ' 28' ' ' LEU . 3.3 mm? -103.02 -6.97 21.8 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -177.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.8 t -80.76 1.76 29.01 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 172.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -130.84 166.48 20.76 Favored 'General case' 0 N--CA 1.432 -1.364 0 N-CA-C 107.099 -1.445 . . . . 0.0 107.099 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 145.21 -92.64 0.16 Allowed Glycine 0 N--CA 1.437 -1.3 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.515 179.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.38 -51.05 71.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.344 0.592 . . . . 0.0 110.099 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -162.96 -52.03 0.04 OUTLIER 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 176.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 55.4 mtp180 . . . . . 0 C--N 1.295 -1.767 0 N-CA-C 105.893 -1.892 . . . . 0.0 105.893 171.703 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.051 0 N-CA-C 109.821 -1.311 . . . . 0.0 109.821 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.59 161.69 35.17 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 117.286 0.543 . . . . 0.0 110.189 175.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -70.79 -28.39 64.62 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 123.62 0.575 . . . . 0.0 111.65 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -83.58 150.63 25.81 Favored 'General case' 0 C--O 1.253 1.24 0 CA-C-O 120.606 0.241 . . . . 0.0 111.559 177.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 78.52 13.48 1.43 Allowed 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.753 1.621 . . . . 0.0 111.061 -178.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 p -81.57 -30.99 32.82 Favored 'General case' 0 C--N 1.309 -1.194 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.567 ' HA ' ' CE2' ' A' ' 9' ' ' TYR . 22.8 t -90.44 74.68 6.86 Favored 'General case' 0 N--CA 1.409 -2.522 0 CA-C-N 114.518 -1.219 . . . . 0.0 107.781 177.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -135.1 66.49 1.52 Allowed 'General case' 0 N--CA 1.427 -1.615 0 N-CA-C 105.723 -1.954 . . . . 0.0 105.723 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.567 ' CE2' ' HA ' ' A' ' 7' ' ' SER . 81.4 m-85 -103.26 151.16 22.99 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 114.359 -1.291 . . . . 0.0 110.541 -174.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 10' ' ' ILE . 11.0 tp -129.9 151.44 35.86 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.641 0 N-CA-C 105.423 -2.065 . . . . 0.0 105.423 176.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -80.49 128.7 33.89 Favored 'General case' 0 C--N 1.298 -1.671 0 C-N-CA 118.47 -1.292 . . . . 0.0 109.604 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.471 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 51.1 t -80.48 140.99 35.63 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 174.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.15 -10.08 24.74 Favored 'General case' 0 C--N 1.274 -2.689 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 177.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.475 ' HA ' ' NH2' ' A' ' 37' ' ' ARG . 15.0 m-80 -83.06 -20.45 34.95 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-N 113.909 -1.496 . . . . 0.0 113.051 -177.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 37' ' ' ARG . 24.6 p -140.7 4.17 1.91 Allowed 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.253 0.549 . . . . 0.0 110.549 170.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 59.91 38.59 94.33 Favored Glycine 0 CA--C 1.505 -0.573 0 CA-C-N 115.491 -0.777 . . . . 0.0 112.053 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -120.65 142.52 49.37 Favored 'General case' 0 N--CA 1.427 -1.607 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.728 -173.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -76.21 100.63 5.11 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 125.942 1.697 . . . . 0.0 107.807 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.84 152.88 38.02 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.06 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.404 ' HB3' ' HB2' ' A' ' 23' ' ' ARG . 39.5 t -54.92 127.66 29.79 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 122.974 0.51 . . . . 0.0 110.823 -176.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.6 -27.96 69.56 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.816 -177.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -83.09 -20.32 35.11 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.945 0.879 . . . . 0.0 110.724 -178.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.404 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 98.4 mtt180 -107.79 4.02 25.12 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.652 -176.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.512 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -70.45 -37.63 74.37 Favored 'General case' 0 C--O 1.21 -1.017 0 O-C-N 123.55 0.531 . . . . 0.0 111.661 -171.405 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.24 -51.58 68.36 Favored 'General case' 0 C--O 1.258 1.529 0 CA-C-O 121.393 0.616 . . . . 0.0 111.072 179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.04 89.6 Favored 'General case' 0 C--O 1.251 1.153 0 CA-C-O 122.199 0.999 . . . . 0.0 108.786 177.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.512 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 69.3 t60 -58.68 -43.85 90.07 Favored 'General case' 0 C--O 1.179 -2.636 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.637 176.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -65.44 -36.14 83.02 Favored 'General case' 0 CA--C 1.481 -1.681 0 CA-C-N 117.96 0.346 . . . . 0.0 110.491 -179.101 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -59.04 -42.4 90.17 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -74.04 -44.43 54.35 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.827 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.9 t -57.07 -45.56 83.19 Favored 'General case' 0 C--N 1.313 -1.007 0 C-N-CA 125.434 1.494 . . . . 0.0 109.702 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.33 -46.29 28.27 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.488 -177.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.8 t -61.54 -25.62 67.41 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -89.46 -16.39 30.95 Favored 'General case' 0 C--N 1.315 -0.923 0 O-C-N 122.175 -0.328 . . . . 0.0 111.7 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 60.94 29.01 69.59 Favored Glycine 0 C--O 1.242 0.627 0 O-C-N 123.469 0.481 . . . . 0.0 112.538 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.73 113.8 25.48 Favored 'General case' 0 N--CA 1.428 -1.572 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.475 ' NH2' ' HA ' ' A' ' 14' ' ' ASN . 65.3 mtp85 -98.26 4.39 48.79 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.743 0.782 . . . . 0.0 110.082 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 32.0 ttp180 . . . . . 0 C--N 1.313 -1.013 0 C-N-CA 127.609 2.364 . . . . 0.0 104.957 173.172 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.49 -1.52 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -89.59 103.07 15.75 Favored 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 177.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -159.52 39.31 0.2 Allowed 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -175.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -82.19 166.85 19.26 Favored 'General case' 0 C--O 1.25 1.11 0 CA-C-O 122.155 0.979 . . . . 0.0 112.134 -174.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.79 136.53 47.37 Favored 'General case' 0 C--N 1.277 -2.57 0 CA-C-N 114.03 -1.441 . . . . 0.0 107.972 173.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.3 m 62.31 -162.58 0.28 Allowed 'General case' 0 CA--C 1.559 1.308 0 O-C-N 123.908 0.755 . . . . 0.0 111.95 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.4 m -144.75 -49.53 0.26 Allowed 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 122.948 0.499 . . . . 0.0 109.87 176.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 20' ' ' SER . 96.7 mt-30 -92.94 -3.11 55.09 Favored 'General case' 0 CA--C 1.499 -0.998 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.236 178.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -116.05 150.6 37.03 Favored 'General case' 0 C--N 1.293 -1.891 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.439 ' HA ' HD12 ' A' ' 10' ' ' ILE . 10.6 tp -138.22 161.55 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.213 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -74.51 117.87 16.82 Favored 'General case' 0 C--N 1.299 -1.618 0 CA-C-O 121.008 0.432 . . . . 0.0 110.97 -177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.562 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 51.2 t -75.6 134.06 40.76 Favored 'General case' 0 N--CA 1.429 -1.511 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 174.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -84.95 -15.74 43.34 Favored 'General case' 0 C--N 1.276 -2.603 0 CA-C-O 122.101 0.953 . . . . 0.0 109.054 -179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.562 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 37.4 m-80 -86.72 -43.26 12.71 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-N 114.203 -1.362 . . . . 0.0 113.486 -171.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 21.7 p -118.26 5.33 11.9 Favored 'General case' 0 C--N 1.309 -1.18 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.842 173.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.54 38.29 95.57 Favored Glycine 0 C--N 1.345 1.056 0 N-CA-C 111.468 -0.653 . . . . 0.0 111.468 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 78.9 ttt180 -120.2 154.0 35.47 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 120.773 -0.371 . . . . 0.0 111.542 -171.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -82.18 98.55 8.78 Favored 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 125.473 1.509 . . . . 0.0 107.666 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.9 t -126.99 147.62 31.89 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.047 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.505 ' HB3' ' HB3' ' A' ' 23' ' ' ARG . 28.2 t -46.17 128.44 9.52 Favored 'General case' 0 C--O 1.218 -0.571 0 C-N-CA 124.469 1.108 . . . . 0.0 111.5 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.83 -44.96 93.79 Favored 'General case' 0 C--N 1.31 -1.122 0 C-N-CA 124.335 1.054 . . . . 0.0 110.177 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -72.1 -29.35 64.0 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.034 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.505 ' HB3' ' HB3' ' A' ' 20' ' ' SER . 39.5 ttm180 -101.17 -1.44 33.87 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-O 121.329 0.585 . . . . 0.0 111.786 -175.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.49 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 29.5 tp -66.22 -19.94 65.97 Favored 'General case' 0 C--O 1.209 -1.078 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -176.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.13 -51.73 20.02 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.793 178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.76 -37.06 83.86 Favored 'General case' 0 C--O 1.273 2.326 0 CA-C-O 122.102 0.953 . . . . 0.0 109.137 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.49 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 61.9 t60 -57.56 -47.3 82.45 Favored 'General case' 0 C--O 1.198 -1.624 0 CA-C-N 114.367 -1.288 . . . . 0.0 108.847 174.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' HB2' ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -62.62 -36.68 83.54 Favored 'General case' 0 CA--C 1.479 -1.753 0 O-C-N 123.855 0.722 . . . . 0.0 110.991 -178.716 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -58.59 -43.67 89.6 Favored 'General case' 0 C--N 1.314 -0.946 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.562 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -76.44 -45.2 32.44 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.457 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 t -54.34 -42.22 69.99 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.54 1.136 . . . . 0.0 110.858 179.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.23 -41.74 24.56 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 -177.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.3 p -64.53 -48.96 73.14 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.74 29.15 1.24 Allowed 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -173.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.02 -23.83 70.75 Favored Glycine 0 C--N 1.316 -0.532 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.468 177.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.73 79.3 1.22 Allowed 'General case' 0 C--O 1.248 1.019 0 CA-C-O 121.861 0.838 . . . . 0.0 110.735 179.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -111.69 -61.1 1.76 Allowed 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.487 ' HA ' ' HE ' ' A' ' 38' ' ' ARG . 1.3 mmp_? . . . . . 0 C--N 1.306 -1.3 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.871 0 N-CA-C 110.799 -0.921 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -117.04 143.64 45.52 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.83 140.58 45.89 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 175.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -111.36 140.53 45.87 Favored 'General case' 0 C--N 1.288 -2.066 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -177.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.2 -26.85 68.01 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 123.373 0.421 . . . . 0.0 111.645 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m 72.85 -46.85 0.66 Allowed 'General case' 0 C--O 1.242 0.686 0 C-N-CA 125.327 1.451 . . . . 0.0 112.145 175.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 51.6 m -103.92 115.84 31.19 Favored 'General case' 0 N--CA 1.419 -2.02 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 173.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -84.45 16.5 3.09 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.988 0.423 . . . . 0.0 111.009 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.659 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 6.0 m-85 -91.39 139.61 30.56 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.871 -176.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.429 HD13 ' O ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER -131.55 166.23 29.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 175.158 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.6 p80 -70.43 122.96 20.62 Favored 'General case' 0 C--N 1.284 -2.263 0 CA-C-O 121.373 0.606 . . . . 0.0 110.21 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.1 t -72.11 129.7 39.13 Favored 'General case' 0 C--N 1.283 -2.305 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 172.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -81.54 -9.36 59.71 Favored 'General case' 0 C--N 1.274 -2.707 0 CA-C-O 121.667 0.746 . . . . 0.0 109.792 -177.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 -101.04 -10.06 20.85 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -172.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.7 p -149.18 6.16 0.67 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 120.882 0.372 . . . . 0.0 110.935 170.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 61.6 36.77 93.13 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.458 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.44 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 17.2 tpt180 -120.21 136.66 54.56 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -171.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.59 99.66 0.16 Allowed 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 125.995 1.718 . . . . 0.0 109.159 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.429 ' O ' HD13 ' A' ' 10' ' ' ILE . 59.1 t -135.09 137.39 50.49 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.928 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.923 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.659 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 38.7 m -48.66 132.3 17.62 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 123.907 0.883 . . . . 0.0 112.4 179.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.62 -30.02 66.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.765 0.793 . . . . 0.0 110.433 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -77.46 -24.61 50.23 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.151 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -100.2 -16.01 17.91 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.074 -174.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.557 HD13 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -57.15 -37.7 72.44 Favored 'General case' 0 C--O 1.2 -1.532 0 C-N-CA 124.724 1.21 . . . . 0.0 111.289 -173.756 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.61 -63.8 1.08 Allowed 'General case' 0 C--O 1.261 1.664 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.92 -34.53 77.98 Favored 'General case' 0 C--O 1.261 1.661 0 CA-C-O 121.694 0.759 . . . . 0.0 109.439 -179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -56.38 -45.15 80.69 Favored 'General case' 0 C--O 1.193 -1.89 0 CA-C-N 114.617 -1.174 . . . . 0.0 109.407 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.557 HD23 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.53 -32.71 72.86 Favored 'General case' 0 CA--C 1.476 -1.873 0 O-C-N 123.185 0.303 . . . . 0.0 111.07 -178.112 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -58.99 -43.36 91.45 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -77.7 -38.34 47.57 Favored 'General case' 0 N--CA 1.445 -0.709 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.416 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.514 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 22.0 t -62.9 -31.31 72.34 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 124.229 1.012 . . . . 0.0 110.898 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -86.83 -46.49 9.9 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 108.45 -0.945 . . . . 0.0 108.45 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.2 t -59.49 -37.46 78.31 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.029 0.442 . . . . 0.0 110.824 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.8 mtp180 -104.08 13.5 32.39 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.049 0.452 . . . . 0.0 111.036 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -87.7 -55.05 2.37 Favored Glycine 0 CA--C 1.495 -1.161 0 N-CA-C 108.991 -1.644 . . . . 0.0 108.991 176.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.75 105.98 18.19 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 174.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -117.51 167.71 11.05 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.065 0.459 . . . . 0.0 111.126 -174.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 43.6 ptt85 . . . . . 0 C--N 1.294 -1.822 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 174.864 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.331 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -89.73 -24.66 21.48 Favored 'General case' 0 C--O 1.243 0.749 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -78.06 80.0 4.5 Favored 'General case' 0 N--CA 1.43 -1.43 0 CA-C-O 122.24 1.019 . . . . 0.0 112.633 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -93.55 -23.08 18.46 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 105.578 -2.008 . . . . 0.0 105.578 169.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -95.27 57.08 1.96 Allowed 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 175.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -67.38 157.81 33.18 Favored 'General case' 0 C--N 1.297 -1.681 0 CA-C-N 114.558 -1.201 . . . . 0.0 112.714 -174.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.1 t -80.56 83.38 6.37 Favored 'General case' 0 N--CA 1.43 -1.427 0 N-CA-C 107.008 -1.479 . . . . 0.0 107.008 175.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -122.87 16.45 10.13 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.564 -175.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -107.25 138.5 43.33 Favored 'General case' 0 C--N 1.291 -1.938 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -178.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.68 166.87 20.89 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -78.34 110.73 13.64 Favored 'General case' 0 C--N 1.281 -2.375 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.999 -177.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 44.5 t -70.91 139.18 50.64 Favored 'General case' 0 CA--C 1.484 -1.565 0 N-CA-C 105.863 -1.903 . . . . 0.0 105.863 175.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -111.7 12.43 21.1 Favored 'General case' 0 C--N 1.275 -2.673 0 CA-C-O 122.698 1.237 . . . . 0.0 108.772 -175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.576 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 16.3 m120 -98.87 -41.4 7.64 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-N 113.165 -1.834 . . . . 0.0 109.255 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.546 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.4 p -120.99 -2.89 9.65 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-O 120.949 0.404 . . . . 0.0 111.031 172.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.02 33.42 59.6 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 121.115 -0.564 . . . . 0.0 112.835 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.546 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 21.9 tpt180 -118.63 144.52 46.09 Favored 'General case' 0 C--N 1.307 -1.277 0 O-C-N 122.611 -0.346 . . . . 0.0 111.134 -174.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -79.48 103.7 9.58 Favored 'General case' 0 C--N 1.304 -1.383 0 C-N-CA 125.468 1.507 . . . . 0.0 108.595 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 t -132.2 149.86 32.92 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.211 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.494 -175.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.1 m -50.76 124.69 11.55 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.756 1.222 . . . . 0.0 111.311 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.76 -37.82 83.11 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 123.418 0.687 . . . . 0.0 110.744 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -66.87 -24.63 66.15 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.328 -179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -112.62 6.98 18.6 Favored 'General case' 0 N--CA 1.428 -1.568 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 -173.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.558 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -64.82 -36.36 84.07 Favored 'General case' 0 C--O 1.198 -1.606 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.074 -172.225 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.12 -54.47 44.68 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 176.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.67 84.73 Favored 'General case' 0 C--O 1.257 1.488 0 CA-C-O 122.048 0.927 . . . . 0.0 109.08 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 74.4 t60 -59.85 -45.97 90.75 Favored 'General case' 0 C--O 1.18 -2.57 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.906 174.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -63.9 -31.0 72.03 Favored 'General case' 0 CA--C 1.497 -1.085 0 C-N-CA 122.825 0.45 . . . . 0.0 110.824 -178.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -62.72 -48.64 78.33 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 173.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -69.08 -30.37 68.66 Favored 'General case' 0 C--O 1.204 -1.314 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.508 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 10.7 t -74.45 -49.29 22.93 Favored 'General case' 0 C--N 1.295 -1.798 0 C-N-CA 123.598 0.759 . . . . 0.0 110.716 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -100.19 -7.43 24.76 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 -172.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.0 t -84.02 1.22 44.89 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 119.243 -0.983 . . . . 0.0 110.198 177.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -106.91 173.69 6.21 Favored 'General case' 0 C--N 1.306 -1.317 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -97.54 -32.82 6.13 Favored Glycine 0 N--CA 1.431 -1.642 0 N-CA-C 108.638 -1.785 . . . . 0.0 108.638 171.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -158.96 177.96 10.58 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -59.49 143.71 49.25 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 117.964 0.347 . . . . 0.0 110.53 178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 . . . . . 0 C--N 1.306 -1.321 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 -177.543 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.391 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp 64.63 32.75 11.18 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.122 0.969 . . . . 0.0 109.854 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 69.1 -165.0 0.18 Allowed 'General case' 0 C--O 1.241 0.638 0 CA-C-N 113.833 -1.53 . . . . 0.0 108.002 -176.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -85.87 82.24 8.23 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 177.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -94.02 -67.02 0.88 Allowed 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 114.587 -1.188 . . . . 0.0 109.729 -175.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 p -149.24 84.37 1.44 Allowed 'General case' 0 N--CA 1.424 -1.767 0 CA-C-O 121.937 0.875 . . . . 0.0 111.29 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.6 t -161.2 153.36 19.96 Favored 'General case' 0 N--CA 1.426 -1.665 0 N-CA-C 107.186 -1.412 . . . . 0.0 107.186 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.497 ' O ' ' HA ' ' A' ' 20' ' ' SER . 26.4 mt-30 -138.23 9.2 2.73 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 177.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -101.94 148.34 25.47 Favored 'General case' 0 CA--C 1.495 -1.16 0 C-N-CA 119.427 -0.909 . . . . 0.0 111.006 -174.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 10' ' ' ILE . 10.5 tp -143.25 160.18 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.395 -3.196 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 178.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -69.45 114.6 7.83 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.093 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.85 129.57 38.95 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 104.982 -2.229 . . . . 0.0 104.982 169.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -82.78 -18.23 41.36 Favored 'General case' 0 C--N 1.259 -3.333 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 -175.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.611 ' ND2' HD11 ' A' ' 28' ' ' LEU . 68.0 m-20 -89.28 -37.77 14.7 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-N 113.757 -1.565 . . . . 0.0 114.581 -171.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.5 p -115.76 0.31 13.15 Favored 'General case' 0 C--N 1.311 -1.106 0 C-N-CA 118.835 -1.146 . . . . 0.0 110.773 170.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.01 35.14 88.89 Favored Glycine 0 CA--C 1.5 -0.85 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.814 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -119.61 146.12 45.82 Favored 'General case' 0 C--N 1.301 -1.506 0 C-N-CA 120.483 -0.487 . . . . 0.0 112.043 -172.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -76.12 102.24 5.65 Favored 'General case' 0 C--N 1.309 -1.153 0 C-N-CA 125.3 1.44 . . . . 0.0 107.687 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.3 t -134.84 155.23 38.04 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 CA-C-N 115.28 -0.873 . . . . 0.0 108.672 -176.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.502 ' HB3' ' HB2' ' A' ' 23' ' ' ARG . 37.3 t -58.29 132.55 53.97 Favored 'General case' 0 N--CA 1.439 -0.989 0 CA-C-O 120.936 0.398 . . . . 0.0 111.916 -178.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.85 -30.18 68.65 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 124.153 0.981 . . . . 0.0 109.173 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -74.27 -25.55 59.68 Favored 'General case' 0 C--N 1.312 -1.046 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.611 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.502 ' HB2' ' HB3' ' A' ' 20' ' ' SER . 62.7 mtp180 -111.13 8.14 21.61 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.917 -0.583 . . . . 0.0 112.291 -177.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.465 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.73 -37.88 85.56 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 122.701 0.4 . . . . 0.0 111.608 -171.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.9 -51.78 65.64 Favored 'General case' 0 C--O 1.259 1.602 0 CA-C-O 121.019 0.438 . . . . 0.0 111.783 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.33 -36.83 85.42 Favored 'General case' 0 C--O 1.259 1.569 0 CA-C-O 121.974 0.892 . . . . 0.0 108.721 178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -60.94 -42.61 98.53 Favored 'General case' 0 C--O 1.186 -2.271 0 CA-C-N 114.134 -1.393 . . . . 0.0 109.946 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.611 HD11 ' ND2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -66.17 -31.79 72.84 Favored 'General case' 0 CA--C 1.479 -1.759 0 CA-C-N 117.728 0.24 . . . . 0.0 110.875 -178.657 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.407 ' O ' ' HB3' ' A' ' 33' ' ' SER . 28.9 mm-40 -64.35 -43.03 95.84 Favored 'General case' 0 C--N 1.297 -1.695 0 C-N-CA 119.54 -0.864 . . . . 0.0 109.432 174.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -69.29 -39.8 78.1 Favored 'General case' 0 CA--C 1.555 1.137 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 11.9 t -65.16 -61.73 1.96 Allowed 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 125.915 1.686 . . . . 0.0 110.937 -177.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.7 mt -100.18 -26.61 13.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 115.969 1.841 . . . . 0.0 115.969 -172.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.407 ' HB3' ' O ' ' A' ' 29' ' ' GLN . 22.6 t -72.82 -23.86 60.83 Favored 'General case' 0 C--O 1.243 0.728 0 C-N-CA 118.721 -1.192 . . . . 0.0 109.475 -177.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -83.03 -50.62 8.34 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.15 -1.055 . . . . 0.0 108.15 172.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 131.01 148.16 6.21 Favored Glycine 0 N--CA 1.425 -2.093 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.552 176.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.59 166.17 23.51 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.416 ' H ' ' HD2' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -125.62 -1.79 7.37 Favored 'General case' 0 C--N 1.302 -1.468 0 C-N-CA 119.997 -0.681 . . . . 0.0 111.262 179.102 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.3 -1.569 0 N-CA-C 107.645 -1.243 . . . . 0.0 107.645 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.752 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.9 tptm 71.36 -33.88 0.28 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 124.924 1.29 . . . . 0.0 114.233 175.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -80.18 105.72 11.66 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 121.9 -0.5 . . . . 0.0 110.493 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -114.37 -33.08 5.73 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.458 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 69.18 -85.66 0.03 OUTLIER 'General case' 0 C--O 1.234 0.287 0 C-N-CA 125.175 1.39 . . . . 0.0 112.715 177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 p -137.14 85.88 2.16 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 121.883 0.849 . . . . 0.0 112.746 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m -148.92 97.2 2.67 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.235 176.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -143.27 23.29 1.84 Allowed 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -99.25 147.87 24.72 Favored 'General case' 0 C--N 1.285 -2.209 0 C-N-CA 119.557 -0.857 . . . . 0.0 108.958 -173.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.18 166.47 26.73 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 N-CA-C 108.304 -0.999 . . . . 0.0 108.304 175.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -77.54 117.72 19.26 Favored 'General case' 0 C--N 1.281 -2.378 0 CA-C-O 121.178 0.513 . . . . 0.0 112.379 -173.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.592 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 53.5 t -77.58 137.41 38.57 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 173.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -93.29 -15.49 25.75 Favored 'General case' 0 C--N 1.283 -2.286 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 179.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.592 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 17.4 m120 -75.49 -43.71 47.74 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-N 113.838 -1.528 . . . . 0.0 111.675 -171.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.532 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 24.2 p -117.07 2.26 12.65 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 120.373 -0.531 . . . . 0.0 110.245 171.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 65.79 35.28 90.71 Favored Glycine 0 C--N 1.338 0.644 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.311 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.532 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 14.3 ttp180 -120.8 149.64 42.25 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -174.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -79.18 102.86 8.74 Favored 'General case' 0 C--N 1.296 -1.731 0 C-N-CA 125.375 1.47 . . . . 0.0 107.407 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -124.01 145.01 31.81 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.383 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.756 -174.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.642 ' HB2' ' HB3' ' A' ' 23' ' ' ARG . 75.6 m -45.29 122.99 3.74 Favored 'General case' 0 C--O 1.214 -0.773 0 C-N-CA 125.896 1.678 . . . . 0.0 111.851 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.65 -46.62 77.44 Favored 'General case' 0 CA--C 1.5 -0.959 0 C-N-CA 124.326 1.05 . . . . 0.0 111.565 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -70.74 -23.04 62.36 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-O 122.012 0.91 . . . . 0.0 110.251 -177.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.642 ' HB3' ' HB2' ' A' ' 20' ' ' SER . 15.0 tpp180 -99.3 -11.99 20.74 Favored 'General case' 0 N--CA 1.424 -1.749 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.132 -173.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.544 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 24.8 tp -65.13 -19.97 66.24 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -173.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.75 -64.4 0.87 Allowed 'General case' 0 C--O 1.242 0.692 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 175.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.56 -33.24 73.52 Favored 'General case' 0 C--O 1.251 1.18 0 CA-C-O 122.12 0.962 . . . . 0.0 109.607 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.544 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 76.6 t60 -58.7 -47.39 84.7 Favored 'General case' 0 C--O 1.191 -1.985 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.297 175.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -37.83 88.36 Favored 'General case' 0 CA--C 1.486 -1.484 0 O-C-N 123.557 0.536 . . . . 0.0 110.855 -179.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -59.79 -40.46 88.39 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.125 -1.03 . . . . 0.0 110.884 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -75.77 -44.14 42.98 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.056 0.455 . . . . 0.0 110.895 178.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.0 t -61.62 -30.19 70.54 Favored 'General case' 0 C--N 1.303 -1.434 0 C-N-CA 124.804 1.242 . . . . 0.0 111.523 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.52 -42.04 9.44 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 122.161 -0.337 . . . . 0.0 110.618 -177.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.0 m -74.87 -13.58 60.57 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -121.01 153.32 37.51 Favored 'General case' 0 C--N 1.311 -1.109 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.78 -9.74 55.47 Favored Glycine 0 N--CA 1.435 -1.371 0 C-N-CA 120.003 -1.094 . . . . 0.0 112.572 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.57 -56.24 4.58 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -139.94 -36.32 0.5 Allowed 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 175.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 . . . . . 0 N--CA 1.426 -1.671 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 174.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.699 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt 64.65 -77.72 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.417 1.487 . . . . 0.0 110.943 -178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -173.55 -58.47 0.02 OUTLIER 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 106.161 -1.792 . . . . 0.0 106.161 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 54.07 150.38 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 127.473 2.309 . . . . 0.0 114.738 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -122.81 35.14 4.95 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 122.872 1.32 . . . . 0.0 108.838 176.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.473 ' HA ' ' HB2' ' A' ' 9' ' ' TYR . 68.6 m -77.64 24.19 0.22 Allowed 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 113.222 -1.808 . . . . 0.0 112.251 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -100.15 -31.5 11.37 Favored 'General case' 0 N--CA 1.43 -1.444 0 N-CA-C 106.049 -1.834 . . . . 0.0 106.049 169.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 20' ' ' SER . 28.3 mt-30 -96.26 -5.42 40.33 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.13 173.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.473 ' HB2' ' HA ' ' A' ' 6' ' ' SER . 15.9 m-85 -117.37 131.42 56.78 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.534 -1.284 . . . . 0.0 107.534 173.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.402 ' HA ' HD12 ' A' ' 10' ' ' ILE . 11.2 tp -113.09 152.18 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.405 -2.703 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 -177.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -81.08 123.16 28.16 Favored 'General case' 0 N--CA 1.424 -1.725 0 C-N-CA 118.53 -1.268 . . . . 0.0 108.545 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.474 ' O ' ' HA2' ' A' ' 16' ' ' GLY . 39.9 t -71.3 141.87 50.48 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 178.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -87.15 -17.43 32.76 Favored 'General case' 0 C--N 1.278 -2.53 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.53 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 3.2 t30 -85.64 -41.58 15.08 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.855 -169.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.1 p -118.81 4.86 11.5 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.607 174.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.474 ' HA2' ' O ' ' A' ' 12' ' ' CYS . . . 61.47 35.56 91.24 Favored Glycine 0 N--CA 1.479 1.556 0 CA-C-N 116.068 -0.515 . . . . 0.0 112.882 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' H ' ' HB3' ' A' ' 12' ' ' CYS . 23.2 ttt85 -121.12 148.88 43.6 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -171.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -75.39 97.78 3.72 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 126.075 1.75 . . . . 0.0 109.556 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 35.2 t -129.66 145.8 35.14 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.148 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.587 -177.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.429 ' HB2' ' HB2' ' A' ' 23' ' ' ARG . 6.2 m -46.79 128.34 10.7 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.598 1.159 . . . . 0.0 111.633 -175.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.4 -42.12 77.42 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 124.936 1.294 . . . . 0.0 111.321 -175.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -70.1 -25.41 63.49 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.598 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.429 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 24.7 mmt180 -99.76 -3.96 31.67 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.649 -172.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.56 HD13 HD23 ' A' ' 28' ' ' LEU . 1.1 tm? -59.84 -37.92 80.61 Favored 'General case' 0 C--O 1.209 -1.036 0 O-C-N 123.133 0.271 . . . . 0.0 110.375 -174.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.46 -62.18 1.97 Allowed 'General case' 0 C--N 1.315 -0.919 0 O-C-N 123.277 0.361 . . . . 0.0 111.916 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.57 79.22 Favored 'General case' 0 C--O 1.251 1.173 0 CA-C-O 121.995 0.902 . . . . 0.0 109.496 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -58.03 -45.0 87.66 Favored 'General case' 0 C--O 1.181 -2.506 0 CA-C-N 114.156 -1.384 . . . . 0.0 109.247 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.56 HD23 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -67.21 -36.24 81.29 Favored 'General case' 0 CA--C 1.48 -1.739 0 O-C-N 123.355 0.409 . . . . 0.0 110.901 -177.747 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -60.71 -41.0 94.36 Favored 'General case' 0 C--N 1.312 -1.031 0 C-N-CA 119.137 -1.025 . . . . 0.0 110.11 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 26.7 ttp-105 -74.32 -44.99 50.21 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.552 178.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.53 ' SG ' ' HB3' ' A' ' 14' ' ' ASN . 25.1 t -57.43 -40.75 79.03 Favored 'General case' 0 C--N 1.311 -1.091 0 C-N-CA 125.284 1.434 . . . . 0.0 110.342 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -83.97 -37.84 21.75 Favored 'General case' 0 N--CA 1.437 -1.088 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.358 -174.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.2 t -76.5 -11.25 59.85 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.204 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -114.32 15.9 17.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.237 0.541 . . . . 0.0 109.862 176.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 166.86 81.34 0.05 OUTLIER Glycine 0 N--CA 1.432 -1.596 0 N-CA-C 110.509 -1.036 . . . . 0.0 110.509 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.93 102.72 3.53 Favored 'General case' 0 N--CA 1.434 -1.26 0 CA-C-O 121.397 0.618 . . . . 0.0 111.286 -177.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -74.75 -12.93 60.53 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.251 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 . . . . . 0 N--CA 1.433 -1.317 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 177.602 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.778 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -75.99 -37.24 58.74 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 120.859 0.361 . . . . 0.0 111.455 -177.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.412 ' HB3' ' OG ' ' A' ' 6' ' ' SER . 25.8 mt-30 -84.85 73.61 10.61 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 121.901 0.858 . . . . 0.0 110.002 178.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -82.5 -4.31 57.3 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 114.917 -1.038 . . . . 0.0 111.408 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -107.05 -5.99 17.73 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.399 0.618 . . . . 0.0 110.783 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.412 ' OG ' ' HB3' ' A' ' 3' ' ' GLN . 9.8 m -95.77 4.61 52.77 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.821 -177.422 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.8 p -66.88 117.76 9.43 Favored 'General case' 0 N--CA 1.425 -1.681 0 CA-C-N 115.049 -0.978 . . . . 0.0 113.387 -176.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -103.15 22.29 14.31 Favored 'General case' 0 CA--C 1.509 -0.633 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.104 174.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.554 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 35.0 m-85 -91.37 144.28 25.74 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.332 -176.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.408 ' HA ' HD12 ' A' ' 10' ' ' ILE . 9.4 tp -124.89 154.08 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.768 0 N-CA-C 105.267 -2.123 . . . . 0.0 105.267 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -86.27 124.62 32.84 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 117.203 -1.799 . . . . 0.0 109.541 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.436 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 42.3 t -70.87 130.08 40.71 Favored 'General case' 0 CA--C 1.472 -2.044 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -99.97 8.17 44.25 Favored 'General case' 0 C--N 1.262 -3.197 0 CA-C-O 122.072 0.939 . . . . 0.0 110.188 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.436 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 16.3 m-80 -96.01 -16.91 21.36 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 114.215 -1.357 . . . . 0.0 111.192 176.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.524 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 27.2 p -146.32 -3.1 0.66 Allowed 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 120.786 0.327 . . . . 0.0 111.761 173.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 70.46 41.18 67.35 Favored Glycine 0 CA--C 1.506 -0.524 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.892 -177.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.524 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 57.7 ttt180 -120.94 136.96 54.83 Favored 'General case' 0 C--N 1.3 -1.55 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -75.85 110.19 10.09 Favored 'General case' 0 C--N 1.302 -1.463 0 C-N-CA 124.478 1.111 . . . . 0.0 108.813 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.7 t -137.53 141.95 38.02 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.542 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.071 -177.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.554 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 20.1 m -48.16 127.4 12.5 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.812 0.845 . . . . 0.0 110.468 176.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.54 -32.29 62.83 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.706 0.802 . . . . 0.0 111.054 -178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -76.4 -23.36 54.04 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.699 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -96.13 -10.37 28.41 Favored 'General case' 0 C--N 1.309 -1.188 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -175.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.48 HD13 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -58.88 -38.59 79.16 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.491 -172.194 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.42 -58.41 7.57 Favored 'General case' 0 C--O 1.249 1.054 0 C-N-CA 122.727 0.411 . . . . 0.0 111.718 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.44 -39.28 91.87 Favored 'General case' 0 C--O 1.262 1.711 0 CA-C-O 121.855 0.836 . . . . 0.0 109.279 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -58.05 -45.39 87.11 Favored 'General case' 0 C--O 1.201 -1.477 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.885 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.48 HD23 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -68.71 -30.36 69.0 Favored 'General case' 0 C--O 1.193 -1.916 0 O-C-N 123.311 0.382 . . . . 0.0 110.833 -177.1 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -63.64 -41.38 98.26 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.672 174.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -71.72 -41.22 68.8 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.623 0.725 . . . . 0.0 109.331 179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 11.6 t -68.63 -24.25 64.53 Favored 'General case' 0 C--N 1.312 -1.061 0 C-N-CA 125.001 1.32 . . . . 0.0 111.531 -178.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -94.22 -40.72 9.86 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -177.31 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.3 m -68.73 -33.38 73.84 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-O 121.572 0.701 . . . . 0.0 110.344 177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -108.24 -161.24 0.76 Allowed 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 175.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.76 -78.66 0.19 Allowed Glycine 0 CA--C 1.485 -1.839 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 178.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -158.83 162.7 37.03 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -99.39 79.77 2.33 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 175.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 . . . . . 0 C--N 1.312 -1.038 0 CA-C-N 114.03 -1.441 . . . . 0.0 108.657 -177.954 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.497 -1.06 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -119.17 -85.39 0.65 Allowed 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -146.92 -64.48 0.28 Allowed 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -74.16 -26.93 60.59 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 174.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -88.78 91.72 8.93 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.265 172.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.8 m -99.93 -49.33 4.37 Favored 'General case' 0 C--N 1.29 -2.008 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.9 m 70.92 -31.96 0.24 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 125.639 1.575 . . . . 0.0 113.653 176.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.529 ' O ' ' HA ' ' A' ' 20' ' ' SER . 9.9 tt0 -83.91 97.68 9.36 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 91.3 m-85 -103.71 137.31 41.92 Favored 'General case' 0 C--N 1.291 -1.977 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 175.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 10' ' ' ILE . 9.9 tp -118.46 148.0 21.6 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.065 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 61.3 t60 -75.28 115.26 14.73 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.624 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 51.5 t -71.54 134.63 46.61 Favored 'General case' 0 N--CA 1.413 -2.294 0 N-CA-C 106.066 -1.827 . . . . 0.0 106.066 176.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.502 ' CD ' ' H ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -97.58 -8.2 29.54 Favored 'General case' 0 C--N 1.26 -3.323 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 -178.155 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.624 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 23.3 m-80 -82.25 -38.54 24.32 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 113.578 -1.647 . . . . 0.0 111.499 -177.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.513 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.8 p -126.31 -0.96 6.99 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.423 173.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.74 37.22 76.06 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.503 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.513 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 6.6 ttp180 -121.39 152.94 38.45 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -176.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -86.19 101.48 13.05 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 125.108 1.363 . . . . 0.0 108.888 -177.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.9 t -129.93 145.77 35.15 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.019 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.727 -174.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 45.6 m -58.3 130.3 46.07 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 123.474 0.71 . . . . 0.0 111.107 -177.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.72 -25.14 66.22 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 123.451 0.7 . . . . 0.0 110.677 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -77.06 -17.47 58.73 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.66 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.6 mtt180 -116.23 -2.09 12.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.814 -174.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.486 HD13 HD23 ' A' ' 28' ' ' LEU . 0.5 OUTLIER -59.01 -39.31 81.5 Favored 'General case' 0 C--O 1.209 -1.027 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.776 -170.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -59.23 -55.27 37.06 Favored 'General case' 0 C--O 1.248 0.974 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.6 -36.98 83.93 Favored 'General case' 0 C--O 1.276 2.463 0 CA-C-O 121.852 0.834 . . . . 0.0 109.55 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -55.52 -49.56 72.28 Favored 'General case' 0 C--O 1.199 -1.568 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.106 174.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.534 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -64.47 -33.32 75.61 Favored 'General case' 0 CA--C 1.493 -1.226 0 O-C-N 123.708 0.63 . . . . 0.0 110.918 -177.664 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 30.3 mm-40 -59.11 -45.3 91.25 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 176.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.1 ttp180 -74.38 -43.77 55.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.439 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.534 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 32.0 t -53.53 -46.45 70.16 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 125.075 1.35 . . . . 0.0 110.802 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.09 -44.43 15.14 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.31 -175.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 56.5 m -62.35 -29.54 70.53 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.331 0.586 . . . . 0.0 111.647 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -106.02 16.43 25.06 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.695 0.76 . . . . 0.0 109.716 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -122.34 26.71 6.28 Favored Glycine 0 N--CA 1.432 -1.585 0 N-CA-C 109.917 -1.273 . . . . 0.0 109.917 178.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.92 96.19 3.1 Favored 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -110.45 153.94 24.31 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.135 -176.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.551 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.497 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -63.12 -37.56 87.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.009 0.433 . . . . 0.0 110.796 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -87.42 15.53 6.43 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.777 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -121.17 175.98 5.83 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-O 120.814 0.34 . . . . 0.0 110.469 179.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -71.86 157.31 38.11 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.4 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 p -59.04 103.19 0.15 Allowed 'General case' 0 C--N 1.32 -0.685 0 O-C-N 123.85 0.719 . . . . 0.0 109.659 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -91.68 112.86 24.96 Favored 'General case' 0 N--CA 1.42 -1.939 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.276 -174.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -101.19 0.7 38.05 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.421 0.629 . . . . 0.0 109.452 172.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.489 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 75.3 m-85 -89.79 151.3 21.87 Favored 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 178.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 10' ' ' ILE . 11.3 tp -144.48 150.38 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.392 -3.331 0 N-CA-C 106.167 -1.79 . . . . 0.0 106.167 178.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -71.98 130.17 40.34 Favored 'General case' 0 C--N 1.298 -1.665 0 C-N-CA 118.441 -1.304 . . . . 0.0 109.739 176.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.574 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 38.3 t -71.67 138.58 48.73 Favored 'General case' 0 N--CA 1.416 -2.16 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 175.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.8 mm-40 -86.31 -14.36 43.86 Favored 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.574 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 31.7 m-80 -84.2 -49.99 8.3 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-N 114.434 -1.257 . . . . 0.0 112.589 -175.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.5 p -114.82 8.73 16.11 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.457 175.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.41 33.08 85.19 Favored Glycine 0 N--CA 1.468 0.808 0 C-N-CA 121.583 -0.341 . . . . 0.0 112.572 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 11.1 ttp180 -120.44 133.05 55.48 Favored 'General case' 0 C--N 1.313 -1.0 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -172.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -63.92 104.62 0.72 Allowed 'General case' 0 C--N 1.316 -0.871 0 C-N-CA 125.427 1.491 . . . . 0.0 109.683 175.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -134.77 151.3 31.14 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.851 0 CA-C-N 114.828 -1.078 . . . . 0.0 108.2 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.489 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 44.1 t -56.91 130.45 45.94 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 120.911 0.386 . . . . 0.0 110.563 -179.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.47 -12.82 61.96 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-O 121.62 0.724 . . . . 0.0 110.431 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -93.35 -9.91 37.16 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.869 0.842 . . . . 0.0 109.634 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -115.0 -6.19 12.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.236 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -58.35 -37.91 76.13 Favored 'General case' 0 C--O 1.212 -0.894 0 C-N-CA 124.106 0.962 . . . . 0.0 112.609 -170.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.21 -58.57 6.76 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.89 -34.08 75.38 Favored 'General case' 0 C--O 1.272 2.256 0 CA-C-O 122.19 0.995 . . . . 0.0 109.233 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.4 t60 -58.37 -46.66 85.89 Favored 'General case' 0 C--O 1.187 -2.193 0 CA-C-N 113.779 -1.555 . . . . 0.0 108.997 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.438 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -61.66 -38.14 86.66 Favored 'General case' 0 CA--C 1.482 -1.669 0 O-C-N 123.622 0.576 . . . . 0.0 110.846 -178.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.33 -40.81 95.59 Favored 'General case' 0 C--N 1.315 -0.892 0 C-N-CA 119.162 -1.015 . . . . 0.0 110.747 175.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -73.55 -40.48 63.93 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.1 t -62.7 -39.55 94.35 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 125.801 1.641 . . . . 0.0 110.508 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.26 -36.45 39.84 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.9 t -62.94 -47.85 81.45 Favored 'General case' 0 C--O 1.244 0.783 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.053 176.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -152.62 155.43 37.32 Favored 'General case' 0 N--CA 1.44 -0.953 0 CA-C-O 120.951 0.405 . . . . 0.0 111.835 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.99 -101.61 1.51 Allowed Glycine 0 N--CA 1.426 -1.989 0 N-CA-C 108.889 -1.684 . . . . 0.0 108.889 175.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -102.11 145.01 29.96 Favored 'General case' 0 C--N 1.296 -1.742 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 70.2 154.34 0.12 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.021 0.928 . . . . 0.0 112.321 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.305 -1.337 0 CA-C-O 117.939 -1.029 . . . . 0.0 108.744 176.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.157 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -137.29 -59.21 0.69 Allowed 'General case' 0 C--N 1.307 -1.262 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 77.41 112.78 0.07 Allowed 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.539 1.535 . . . . 0.0 113.48 174.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -153.67 -176.15 5.69 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 8' ' ' GLN . 29.3 mm-40 73.32 -58.29 0.6 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.074 1.35 . . . . 0.0 112.406 178.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 t -68.66 -34.45 75.73 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 106.078 -1.823 . . . . 0.0 106.078 171.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.7 m -86.04 83.79 7.68 Favored 'General case' 0 N--CA 1.407 -2.606 0 CA-C-N 114.128 -1.396 . . . . 0.0 109.014 175.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 5' ' ' GLU . 90.6 mt-30 -94.31 18.44 11.04 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.548 177.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 32.0 m-85 -100.51 136.76 39.88 Favored 'General case' 0 N--CA 1.414 -2.264 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.41 HD12 ' HA ' ' A' ' 10' ' ' ILE . 9.5 tp -112.49 154.67 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.927 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 -176.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -76.29 115.3 15.89 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.302 179.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.417 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 53.7 t -79.65 129.63 34.65 Favored 'General case' 0 N--CA 1.414 -2.244 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 172.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.16 -13.0 28.97 Favored 'General case' 0 C--N 1.268 -2.943 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.633 ' ND2' HD11 ' A' ' 28' ' ' LEU . 50.4 m-20 -75.34 -37.47 60.67 Favored 'General case' 0 C--N 1.297 -1.704 0 CA-C-N 114.032 -1.44 . . . . 0.0 113.016 -175.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.2 p -123.88 0.03 8.54 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.637 170.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.09 41.04 92.97 Favored Glycine 0 C--N 1.334 0.432 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.958 -177.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 79.2 ttt180 -120.71 153.5 36.87 Favored 'General case' 0 C--N 1.296 -1.734 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -174.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -99.34 99.01 9.89 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 -175.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 48.3 t -125.65 146.79 30.79 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.172 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.487 -171.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.441 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 6.1 m -49.43 122.16 5.87 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.547 1.139 . . . . 0.0 110.534 -178.205 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.32 -30.27 59.89 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.172 0.989 . . . . 0.0 112.546 -175.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -80.14 -18.09 50.74 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.39 0.614 . . . . 0.0 111.057 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -108.28 2.0 22.36 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.602 -177.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.504 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -65.13 -36.02 82.95 Favored 'General case' 0 C--O 1.205 -1.286 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.371 -174.418 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -53.12 -61.68 2.14 Favored 'General case' 0 C--O 1.251 1.135 0 C-N-CA 122.901 0.48 . . . . 0.0 112.231 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.21 -35.07 79.47 Favored 'General case' 0 C--O 1.25 1.129 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 71.8 t60 -54.03 -52.12 61.85 Favored 'General case' 0 C--O 1.196 -1.738 0 CA-C-N 114.871 -1.059 . . . . 0.0 109.309 174.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.633 HD11 ' ND2' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -63.74 -34.56 78.15 Favored 'General case' 0 CA--C 1.482 -1.658 0 O-C-N 123.75 0.656 . . . . 0.0 110.964 -177.088 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 22.9 mm-40 -59.95 -46.34 89.72 Favored 'General case' 0 C--O 1.203 -1.371 0 C-N-CA 119.775 -0.77 . . . . 0.0 109.05 178.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -74.7 -41.84 59.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.9 0.381 . . . . 0.0 110.406 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.501 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 37.2 t -51.98 -53.95 35.5 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 125.284 1.434 . . . . 0.0 110.33 177.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 32' ' ' LEU . 14.9 mt -86.41 -25.7 25.14 Favored 'General case' 0 N--CA 1.44 -0.925 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -176.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.4 t -68.65 -31.2 70.16 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -100.0 -4.82 29.23 Favored 'General case' 0 N--CA 1.44 -0.939 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.732 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.36 57.97 2.71 Favored Glycine 0 C--N 1.309 -0.959 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.23 118.08 23.38 Favored 'General case' 0 N--CA 1.429 -1.476 0 CA-C-O 120.945 0.402 . . . . 0.0 110.956 -177.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -79.97 -38.34 32.43 Favored 'General case' 0 C--N 1.307 -1.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.328 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 . . . . . 0 C--O 1.246 0.92 0 C-N-CA 124.961 1.304 . . . . 0.0 110.925 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.176 0 N-CA-C 110.416 -1.074 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -137.25 135.7 37.43 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -106.9 98.57 8.22 Favored 'General case' 0 C--N 1.293 -1.87 0 CA-C-O 120.904 0.383 . . . . 0.0 110.767 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -64.59 -44.72 89.75 Favored 'General case' 0 CA--C 1.509 -0.618 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 176.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -123.23 141.14 52.29 Favored 'General case' 0 N--CA 1.415 -2.222 0 CA-C-N 113.95 -1.477 . . . . 0.0 107.279 176.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 m -74.64 112.86 11.27 Favored 'General case' 0 N--CA 1.418 -2.027 0 N-CA-C 106.217 -1.772 . . . . 0.0 106.217 172.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.0 m -75.56 72.07 2.52 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-O 121.397 0.617 . . . . 0.0 111.105 -175.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -78.08 24.35 0.25 Allowed 'General case' 0 C--N 1.316 -0.877 0 C-N-CA 124.486 1.115 . . . . 0.0 111.324 -178.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -110.59 145.61 37.56 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 -177.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.1 tp -130.13 154.87 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.393 -3.312 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.5 t60 -71.85 120.39 17.38 Favored 'General case' 0 C--N 1.293 -1.875 0 N-CA-C 107.95 -1.129 . . . . 0.0 107.95 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' H ' ' A' ' 17' ' ' ARG . 35.3 t -70.87 128.09 34.83 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 175.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -83.22 -5.91 59.29 Favored 'General case' 0 C--N 1.277 -2.568 0 O-C-N 123.743 0.652 . . . . 0.0 109.646 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -93.08 -57.04 2.75 Favored 'General case' 0 N--CA 1.432 -1.346 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.668 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 28.3 p -103.87 1.7 31.75 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.998 179.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.54 37.6 89.82 Favored Glycine 0 CA--C 1.518 0.228 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.524 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.571 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 25.1 ttp180 -121.37 140.27 52.34 Favored 'General case' 0 C--N 1.31 -1.146 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -78.95 103.06 8.64 Favored 'General case' 0 CA--C 1.498 -1.026 0 C-N-CA 124.442 1.097 . . . . 0.0 108.529 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.413 ' CG2' ' HG2' ' A' ' 17' ' ' ARG . 43.8 t -132.42 149.56 32.41 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.364 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.874 -176.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 66.1 m -49.77 119.94 3.9 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.618 0.767 . . . . 0.0 111.911 178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.36 -35.02 73.11 Favored 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 124.864 1.266 . . . . 0.0 110.778 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -62.29 -26.72 68.57 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.95 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -116.22 15.7 15.92 Favored 'General case' 0 N--CA 1.428 -1.553 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.43 -174.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.462 HD13 HD23 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -66.5 -36.44 82.72 Favored 'General case' 0 C--O 1.198 -1.615 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -174.446 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.48 -48.72 78.38 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 120.666 0.269 . . . . 0.0 111.362 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.5 -42.23 95.97 Favored 'General case' 0 C--O 1.25 1.093 0 CA-C-O 121.984 0.897 . . . . 0.0 108.813 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -60.32 -43.43 96.4 Favored 'General case' 0 C--O 1.174 -2.9 0 CA-C-N 114.135 -1.393 . . . . 0.0 109.822 176.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -67.5 -31.85 72.25 Favored 'General case' 0 CA--C 1.482 -1.647 0 CA-C-N 117.952 0.342 . . . . 0.0 111.152 -177.793 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -67.12 -37.44 83.88 Favored 'General case' 0 C--N 1.308 -1.197 0 C-N-CA 119.019 -1.072 . . . . 0.0 109.615 175.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -70.44 -45.83 65.06 Favored 'General case' 0 C--O 1.213 -0.854 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 176.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 29.7 t -60.43 -42.07 95.33 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 126.408 1.883 . . . . 0.0 110.647 -177.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -84.64 -43.12 14.69 Favored 'General case' 0 N--CA 1.429 -1.504 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.719 -175.8 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.6 t -71.95 -33.81 68.49 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 120.918 -0.313 . . . . 0.0 111.593 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -91.31 -3.31 56.94 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.683 0.754 . . . . 0.0 110.322 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -114.51 15.06 20.13 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 177.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.09 115.63 27.5 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 115.157 -0.522 . . . . 0.0 110.075 -177.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -93.52 -60.98 1.64 Allowed 'General case' 0 C--N 1.297 -1.705 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 176.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 . . . . . 0 C--O 1.247 0.956 0 N-CA-C 106.785 -1.561 . . . . 0.0 106.785 177.215 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.498 -1.025 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -93.36 101.66 13.9 Favored 'General case' 0 C--N 1.306 -1.324 0 CA-C-N 117.034 0.417 . . . . 0.0 111.404 -176.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -108.69 -40.43 5.08 Favored 'General case' 0 C--N 1.3 -1.571 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 175.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.7 mp0 -104.45 138.65 40.52 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 174.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -95.2 93.52 7.36 Favored 'General case' 0 C--N 1.292 -1.915 0 CA-C-O 122.087 0.946 . . . . 0.0 111.38 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -150.57 27.51 0.73 Allowed 'General case' 0 C--N 1.295 -1.785 0 N-CA-C 105.731 -1.951 . . . . 0.0 105.731 175.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -85.53 32.52 0.57 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 113.721 -1.582 . . . . 0.0 108.889 -175.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.629 ' O ' ' HA ' ' A' ' 20' ' ' SER . 51.5 mt-30 -92.23 16.88 10.56 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.267 -171.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -125.43 149.8 47.88 Favored 'General case' 0 C--N 1.307 -1.252 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 10' ' ' ILE . 8.9 tp -136.3 152.71 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.396 -3.171 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -80.38 114.55 19.36 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 50.4 t -71.62 135.2 46.84 Favored 'General case' 0 N--CA 1.42 -1.944 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 177.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -92.4 -12.33 32.52 Favored 'General case' 0 C--N 1.269 -2.904 0 CA-C-O 122.116 0.96 . . . . 0.0 108.508 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.499 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 19.8 m120 -87.64 -14.29 40.38 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 114.107 -1.406 . . . . 0.0 112.136 -173.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.3 p -147.37 2.32 0.74 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 171.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 63.45 36.86 93.94 Favored Glycine 0 C--O 1.22 -0.761 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.694 -177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.403 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 20.3 tpp180 -119.96 147.38 44.84 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 -174.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -84.36 105.84 15.5 Favored 'General case' 0 CA--C 1.488 -1.41 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 51.4 t -129.0 149.68 33.92 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.19 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.355 -174.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.629 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 5.2 m -53.35 126.98 23.11 Favored 'General case' 0 N--CA 1.428 -1.568 0 C-N-CA 123.746 0.818 . . . . 0.0 111.323 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.65 88.04 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 124.666 1.186 . . . . 0.0 110.996 -177.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -62.97 -26.88 69.05 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.828 0.823 . . . . 0.0 110.684 178.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -98.31 -6.7 30.39 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.409 -174.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.54 HD13 HD23 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -58.1 -39.23 78.11 Favored 'General case' 0 C--O 1.206 -1.197 0 O-C-N 123.353 0.408 . . . . 0.0 111.487 -172.11 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.06 -58.88 6.03 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-O 121.029 0.442 . . . . 0.0 111.771 177.159 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.92 -36.9 83.3 Favored 'General case' 0 C--O 1.245 0.858 0 CA-C-O 121.837 0.827 . . . . 0.0 109.396 -178.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -57.65 -44.59 85.75 Favored 'General case' 0 C--O 1.187 -2.195 0 CA-C-N 114.579 -1.192 . . . . 0.0 109.422 175.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.54 HD23 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -67.19 -34.83 78.35 Favored 'General case' 0 CA--C 1.477 -1.85 0 O-C-N 123.401 0.438 . . . . 0.0 110.591 -177.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -59.81 -43.48 94.49 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -72.31 -45.22 60.93 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.477 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 18.4 t -58.16 -44.37 87.89 Favored 'General case' 0 C--N 1.315 -0.907 0 C-N-CA 125.474 1.51 . . . . 0.0 110.695 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.95 -46.56 29.1 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 -176.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 62.7 m -63.14 -33.25 75.06 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -95.89 0.29 51.83 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.86 85.09 1.09 Allowed Glycine 0 N--CA 1.451 -0.343 0 N-CA-C 109.729 -1.348 . . . . 0.0 109.729 177.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.15 -55.37 1.36 Allowed 'General case' 0 C--N 1.311 -1.083 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -174.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -73.1 -26.96 61.43 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.838 0.828 . . . . 0.0 109.896 -176.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.425 -1.706 0 N-CA-C 106.7 -1.593 . . . . 0.0 106.7 175.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.442 0 N-CA-C 111.336 -0.705 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -97.66 -36.19 10.34 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.283 0.563 . . . . 0.0 110.038 179.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -111.85 88.76 2.88 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 173.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -91.59 99.37 12.3 Favored 'General case' 0 N--CA 1.422 -1.862 0 N-CA-C 114.314 1.227 . . . . 0.0 114.314 -167.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -149.38 24.83 0.89 Allowed 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 168.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 m -96.8 101.92 13.61 Favored 'General case' 0 N--CA 1.416 -2.168 0 CA-C-N 114.36 -1.291 . . . . 0.0 110.885 -172.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.3 p -83.35 -55.36 4.37 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 174.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.424 ' OE1' ' HA ' ' A' ' 8' ' ' GLN . 6.0 tp60 -141.13 49.49 1.65 Allowed 'General case' 0 C--N 1.31 -1.139 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 175.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 0.6 OUTLIER -99.98 144.84 28.56 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.103 -177.248 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.8 tp -126.42 160.29 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.401 -2.911 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -80.03 115.42 19.59 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 53.8 t -71.49 133.73 46.05 Favored 'General case' 0 N--CA 1.421 -1.878 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 175.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.02 2.03 45.89 Favored 'General case' 0 C--N 1.27 -2.851 0 CA-C-O 122.472 1.13 . . . . 0.0 108.98 -176.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.626 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 35.5 m-80 -93.22 -56.15 3.06 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-N 113.539 -1.664 . . . . 0.0 110.838 -179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.9 p -103.41 -6.47 21.85 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.463 174.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.61 35.71 50.66 Favored Glycine 0 C--N 1.335 0.486 0 C-N-CA 121.24 -0.505 . . . . 0.0 112.715 -178.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -120.94 152.24 38.74 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.835 -175.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -81.75 104.13 11.92 Favored 'General case' 0 CA--C 1.495 -1.146 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.1 t -129.88 144.94 36.53 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.877 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.536 -175.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 47.5 t -53.54 131.63 38.85 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 123.459 0.704 . . . . 0.0 110.651 179.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.21 -30.22 68.06 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.637 0.732 . . . . 0.0 109.854 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -71.34 -27.06 63.1 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.601 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -93.18 -27.19 17.04 Favored 'General case' 0 N--CA 1.428 -1.538 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.009 -176.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.463 ' HA ' ' HB3' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -43.64 -43.98 6.1 Favored 'General case' 0 C--O 1.196 -1.712 0 N-CA-C 115.731 1.752 . . . . 0.0 115.731 -173.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.56 -59.38 5.54 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-O 121.084 0.469 . . . . 0.0 111.821 179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.73 -34.78 78.98 Favored 'General case' 0 C--O 1.257 1.458 0 CA-C-O 122.355 1.074 . . . . 0.0 109.494 179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.463 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 70.9 t60 -60.88 -43.02 99.01 Favored 'General case' 0 C--O 1.188 -2.166 0 CA-C-N 114.264 -1.334 . . . . 0.0 110.028 175.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.51 -35.31 80.53 Favored 'General case' 0 CA--C 1.475 -1.907 0 CA-C-N 117.92 0.327 . . . . 0.0 110.469 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.49 ' O ' ' HB2' ' A' ' 33' ' ' SER . 30.6 mm-40 -57.67 -45.81 85.09 Favored 'General case' 0 N--CA 1.444 -0.755 0 O-C-N 123.999 0.812 . . . . 0.0 108.86 175.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -72.04 -45.77 59.54 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-O 121.103 0.478 . . . . 0.0 110.247 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.2 t -57.39 -43.92 84.04 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.094 1.357 . . . . 0.0 110.099 -177.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.8 mt -90.84 -14.55 31.61 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.49 ' HB2' ' O ' ' A' ' 29' ' ' GLN . 22.8 t -61.85 -46.58 88.84 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 173.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -87.31 -44.4 11.43 Favored 'General case' 0 N--CA 1.432 -1.341 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.687 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.83 -160.12 52.6 Favored Glycine 0 N--CA 1.442 -0.938 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.27 106.58 7.63 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -86.7 114.18 23.18 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 107.427 -1.324 . . . . 0.0 107.427 177.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 . . . . . 0 C--N 1.293 -1.873 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -176.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.494 -1.222 0 N-CA-C 110.454 -1.058 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -73.57 136.35 43.98 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 116.859 0.33 . . . . 0.0 110.764 -178.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -139.26 4.15 2.2 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-O 120.809 0.338 . . . . 0.0 111.695 179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -92.04 90.26 7.31 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-O 121.537 0.684 . . . . 0.0 110.399 -179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -125.21 174.82 7.83 Favored 'General case' 0 N--CA 1.421 -1.894 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.989 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -125.52 97.44 5.18 Favored 'General case' 0 N--CA 1.419 -1.99 0 CA-C-O 120.999 0.428 . . . . 0.0 110.675 -178.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.2 t -144.45 -55.06 0.34 Allowed 'General case' 0 N--CA 1.432 -1.327 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 172.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.43 ' O ' ' HA ' ' A' ' 20' ' ' SER . 78.8 mt-30 -103.33 8.89 38.18 Favored 'General case' 0 CA--C 1.502 -0.878 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -114.9 149.66 36.86 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 10' ' ' ILE . 9.7 tp -139.5 155.44 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.643 0 N-CA-C 105.901 -1.889 . . . . 0.0 105.901 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -79.63 128.57 33.56 Favored 'General case' 0 C--N 1.3 -1.551 0 C-N-CA 117.998 -1.481 . . . . 0.0 109.94 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.6 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 41.7 t -71.95 130.28 40.6 Favored 'General case' 0 N--CA 1.407 -2.607 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 173.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -92.26 -0.05 57.43 Favored 'General case' 0 C--N 1.263 -3.194 0 CA-C-O 121.671 0.748 . . . . 0.0 109.412 -176.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.6 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 16.4 m120 -93.55 -57.2 2.65 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.772 -178.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.2 p -97.93 -14.26 20.74 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 120.201 -0.599 . . . . 0.0 111.528 174.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.87 38.05 17.3 Favored Glycine 0 CA--C 1.505 -0.555 0 C-N-CA 120.964 -0.636 . . . . 0.0 111.561 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.4 ttm180 -121.33 140.91 51.47 Favored 'General case' 0 C--N 1.304 -1.38 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -75.3 104.34 5.83 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 177.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.0 t -128.83 153.64 38.66 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.649 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.343 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 17.2 m -56.42 123.84 16.08 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 123.692 0.797 . . . . 0.0 111.065 -179.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.78 -36.48 72.21 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 124.717 1.207 . . . . 0.0 112.254 -175.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -75.31 -19.41 59.67 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.589 0.709 . . . . 0.0 110.671 -178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.413 ' HB2' ' HB2' ' A' ' 20' ' ' SER . 75.2 mtp180 -106.87 3.66 26.54 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.485 -174.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -66.78 -35.34 79.85 Favored 'General case' 0 C--O 1.213 -0.85 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.141 -173.367 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.92 -55.88 28.66 Favored 'General case' 0 C--O 1.254 1.321 0 C-N-CA 122.533 0.333 . . . . 0.0 111.84 178.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.82 -39.1 93.42 Favored 'General case' 0 C--O 1.258 1.525 0 CA-C-O 122.133 0.968 . . . . 0.0 108.947 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -57.88 -44.62 86.8 Favored 'General case' 0 C--O 1.19 -2.045 0 CA-C-N 113.801 -1.545 . . . . 0.0 109.499 176.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -64.05 -35.94 82.36 Favored 'General case' 0 CA--C 1.475 -1.925 0 O-C-N 123.096 0.248 . . . . 0.0 111.135 -179.286 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -62.22 -40.09 94.97 Favored 'General case' 0 C--N 1.31 -1.14 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.389 176.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -72.41 -43.01 64.48 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.784 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.1 t -59.58 -45.69 91.12 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 125.504 1.522 . . . . 0.0 109.654 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -39.17 61.95 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.857 -177.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 t -64.28 -47.87 77.87 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.673 0.273 . . . . 0.0 110.928 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -64.95 -38.25 90.33 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-O 121.184 0.516 . . . . 0.0 110.887 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.04 46.28 0.66 Allowed Glycine 0 N--CA 1.426 -1.972 0 C-N-CA 119.69 -1.243 . . . . 0.0 113.377 176.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.59 75.91 4.13 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-O 122.505 1.145 . . . . 0.0 109.63 175.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -142.96 130.89 21.65 Favored 'General case' 0 N--CA 1.416 -2.152 0 N-CA-C 106.082 -1.822 . . . . 0.0 106.082 -178.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 . . . . . 0 C--N 1.293 -1.872 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -178.084 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.492 -1.401 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.64 120.42 16.34 Favored 'General case' 0 C--N 1.307 -1.239 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 176.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -121.67 78.98 1.5 Allowed 'General case' 0 C--N 1.294 -1.824 0 CA-C-O 121.27 0.557 . . . . 0.0 111.156 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -115.38 -44.96 2.95 Favored 'General case' 0 C--N 1.305 -1.335 0 N-CA-C 107.852 -1.166 . . . . 0.0 107.852 175.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.14 -19.43 51.05 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.004 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t 79.33 87.85 0.06 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.885 1.674 . . . . 0.0 111.028 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 m -81.48 -36.98 28.66 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 115.512 -0.767 . . . . 0.0 112.362 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -97.79 10.46 40.06 Favored 'General case' 0 CA--C 1.5 -0.977 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -173.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 20' ' ' SER . 1.4 m-85 -112.03 152.2 28.44 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.5 tp -126.27 154.83 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.555 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -76.74 110.16 11.1 Favored 'General case' 0 C--N 1.297 -1.694 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.035 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 48.3 t -71.52 136.22 47.44 Favored 'General case' 0 N--CA 1.427 -1.6 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 175.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -101.62 0.69 36.71 Favored 'General case' 0 C--N 1.279 -2.483 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.55 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 14.4 m120 -89.13 -39.14 13.8 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.147 -177.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 25.1 p -121.93 0.31 9.69 Favored 'General case' 0 C--O 1.24 0.572 0 CA-C-O 121.02 0.438 . . . . 0.0 110.211 172.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.91 37.01 91.9 Favored Glycine 0 C--N 1.337 0.626 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.171 -178.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 1.6 tpm_? -119.92 143.17 48.12 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -174.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -79.82 101.79 8.71 Favored 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 42.3 t -128.26 149.23 32.93 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.466 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.591 -175.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 9' ' ' TYR . 11.8 m -45.5 119.12 2.0 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.589 1.155 . . . . 0.0 111.834 -176.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.61 -48.79 71.78 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 126.035 1.734 . . . . 0.0 112.451 -173.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -73.81 -14.28 61.07 Favored 'General case' 0 C--N 1.299 -1.625 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.382 -175.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 56.4 ttt180 -114.56 9.61 16.65 Favored 'General case' 0 C--O 1.246 0.88 0 CA-C-O 121.626 0.727 . . . . 0.0 109.598 -175.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.497 HD13 HD23 ' A' ' 28' ' ' LEU . 1.3 tm? -62.81 -34.21 76.83 Favored 'General case' 0 C--O 1.206 -1.201 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.876 -175.067 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.56 -58.77 5.97 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.53 0.732 . . . . 0.0 112.287 176.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.85 -37.91 89.22 Favored 'General case' 0 C--O 1.286 3.013 0 CA-C-O 122.215 1.007 . . . . 0.0 109.507 -179.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 69.9 t60 -56.48 -47.1 79.95 Favored 'General case' 0 C--O 1.192 -1.947 0 CA-C-N 113.601 -1.636 . . . . 0.0 109.293 175.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.516 ' HA ' ' HB3' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -64.95 -35.92 82.74 Favored 'General case' 0 CA--C 1.478 -1.799 0 O-C-N 123.699 0.624 . . . . 0.0 111.24 -177.405 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -57.65 -44.98 86.06 Favored 'General case' 0 C--N 1.314 -0.977 0 O-C-N 123.577 0.548 . . . . 0.0 109.603 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.6 ttm180 -77.04 -38.07 53.5 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.999 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.516 ' HB3' ' HA ' ' A' ' 28' ' ' LEU . 45.7 t -60.56 -40.2 90.76 Favored 'General case' 0 C--N 1.311 -1.102 0 C-N-CA 124.775 1.23 . . . . 0.0 110.742 178.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -79.46 -44.4 21.4 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.195 -177.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -62.13 -38.24 88.2 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-O 121.16 0.505 . . . . 0.0 110.723 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.517 HH21 ' HA ' ' A' ' 38' ' ' ARG . 52.7 mtp180 -91.39 54.88 2.65 Favored 'General case' 0 C--N 1.317 -0.82 0 O-C-N 122.161 -0.337 . . . . 0.0 110.738 179.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -60.89 105.92 0.97 Allowed Glycine 0 C--O 1.241 0.542 0 N-CA-C 112.023 -0.431 . . . . 0.0 112.023 -179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 65.79 12.24 8.18 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 124.855 1.262 . . . . 0.0 111.63 -178.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 -97.06 94.74 7.34 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.546 0.689 . . . . 0.0 112.238 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.517 ' HA ' HH21 ' A' ' 34' ' ' ARG . 15.6 ptm180 . . . . . 0 C--N 1.295 -1.772 0 CA-C-N 114.683 -1.144 . . . . 0.0 108.968 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.495 -1.159 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -84.11 99.85 10.75 Favored 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -71.79 -38.62 70.25 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 106.827 -1.545 . . . . 0.0 106.827 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.493 ' HG2' ' H ' ' A' ' 6' ' ' SER . 8.8 tt0 -129.05 127.51 41.71 Favored 'General case' 0 N--CA 1.408 -2.558 0 CA-C-N 113.388 -1.733 . . . . 0.0 106.53 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -86.33 6.31 30.54 Favored 'General case' 0 C--N 1.306 -1.296 0 C-N-CA 122.749 0.42 . . . . 0.0 110.935 -176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.493 ' H ' ' HG2' ' A' ' 4' ' ' GLN . 17.3 m 58.88 68.73 0.79 Allowed 'General case' 0 C--O 1.243 0.715 0 C-N-CA 124.242 1.017 . . . . 0.0 110.16 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.1 m -101.53 -155.29 0.51 Allowed 'General case' 0 C--N 1.298 -1.667 0 CA-C-N 114.257 -1.338 . . . . 0.0 109.591 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.493 ' O ' ' HA ' ' A' ' 20' ' ' SER . 19.4 tp60 75.51 85.34 0.09 Allowed 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 125.639 1.576 . . . . 0.0 113.325 176.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -106.67 136.5 46.36 Favored 'General case' 0 C--N 1.288 -2.095 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 168.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.516 HG23 HD22 ' A' ' 24' ' ' LEU . 10.3 tp -126.45 153.3 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.397 -3.087 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -176.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -75.71 127.12 32.36 Favored 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 119.738 -0.785 . . . . 0.0 110.505 -178.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 46.5 t -75.02 125.92 29.92 Favored 'General case' 0 C--N 1.292 -1.931 0 N-CA-C 105.273 -2.121 . . . . 0.0 105.273 170.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -92.3 4.85 52.48 Favored 'General case' 0 C--N 1.282 -2.353 0 CA-C-O 121.972 0.891 . . . . 0.0 109.472 -179.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.612 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 34.5 m-80 -93.59 -36.43 12.39 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.911 179.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 26.8 p -131.2 11.92 5.04 Favored 'General case' 0 C--N 1.318 -0.781 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.239 175.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 57.96 43.02 95.14 Favored Glycine 0 C--N 1.348 1.234 0 N-CA-C 111.662 -0.575 . . . . 0.0 111.662 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.42 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 78.0 ttt180 -121.16 139.6 53.14 Favored 'General case' 0 C--N 1.289 -2.041 0 CA-C-N 115.492 -0.354 . . . . 0.0 111.895 -172.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -84.34 104.1 14.08 Favored 'General case' 0 C--N 1.302 -1.483 0 C-N-CA 123.871 0.869 . . . . 0.0 108.933 -176.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.7 t -129.65 144.13 39.02 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.595 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.505 -176.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.493 ' HA ' ' O ' ' A' ' 8' ' ' GLN . 14.5 t -45.98 130.76 9.87 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 124.37 1.068 . . . . 0.0 109.485 174.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.26 -25.35 67.79 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-O 121.372 0.606 . . . . 0.0 110.164 -178.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -72.4 -39.24 68.1 Favored 'General case' 0 C--N 1.307 -1.245 0 CA-C-N 114.666 -1.152 . . . . 0.0 109.274 178.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 17.0 tpp180 -88.24 -24.14 23.33 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.781 -174.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.516 HD22 HG23 ' A' ' 10' ' ' ILE . 37.7 tp -58.67 -22.53 57.2 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -173.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -65.41 -60.81 2.56 Favored 'General case' 0 C--O 1.25 1.119 0 CA-C-O 121.028 0.442 . . . . 0.0 110.978 178.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.66 -33.3 75.35 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-O 121.926 0.869 . . . . 0.0 108.87 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.516 ' HB3' ' HA ' ' A' ' 24' ' ' LEU . 60.8 t60 -59.11 -45.88 89.75 Favored 'General case' 0 C--O 1.196 -1.738 0 CA-C-N 114.726 -1.125 . . . . 0.0 109.58 175.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.563 HD11 ' ND2' ' A' ' 14' ' ' ASN . 0.7 OUTLIER -62.92 -37.47 87.12 Favored 'General case' 0 CA--C 1.471 -2.091 0 CA-C-N 117.936 0.335 . . . . 0.0 110.865 178.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 26.8 mm-40 -58.25 -42.62 86.81 Favored 'General case' 0 C--N 1.309 -1.168 0 O-C-N 123.768 0.668 . . . . 0.0 109.753 178.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -79.61 -42.36 25.08 Favored 'General case' 0 N--CA 1.439 -0.993 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.525 179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 11.0 t -54.26 -44.16 71.58 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.487 1.115 . . . . 0.0 110.028 177.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.4 mt -75.62 -46.96 28.66 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.873 178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.8 m -64.13 -23.7 67.41 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -112.58 24.44 12.48 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-O 121.285 0.564 . . . . 0.0 110.808 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.79 119.68 5.07 Favored Glycine 0 N--CA 1.44 -1.051 0 N-CA-C 110.151 -1.179 . . . . 0.0 110.151 175.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.48 162.16 27.84 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 116.991 0.395 . . . . 0.0 111.038 -177.025 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 73.4 mtp180 -138.41 165.39 26.9 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.1 ptt180 . . . . . 0 C--N 1.292 -1.911 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.823 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.919 0 N-CA-C 110.342 -1.103 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -74.83 -29.08 60.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 117.173 0.486 . . . . 0.0 110.32 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 50.1 63.38 2.22 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 124.23 1.012 . . . . 0.0 111.202 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 72.83 141.26 0.06 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.369 -1.287 . . . . 0.0 114.419 -176.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -90.34 4.28 51.27 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.716 -179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 m 69.03 -1.48 2.08 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.449 1.1 . . . . 0.0 113.925 172.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.4 m -92.31 84.2 5.15 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -123.67 10.32 9.03 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.56 -174.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -110.61 149.72 30.01 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 10' ' ' ILE . 9.1 tp -130.25 159.93 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.068 0 N-CA-C 107.042 -1.466 . . . . 0.0 107.042 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -87.38 117.11 25.93 Favored 'General case' 0 C--N 1.295 -1.789 0 C-N-CA 120.436 -0.506 . . . . 0.0 109.647 -178.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 14' ' ' ASN . 42.6 t -73.26 127.77 33.57 Favored 'General case' 0 N--CA 1.424 -1.759 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 175.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -85.43 -15.56 42.59 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 107.362 -1.348 . . . . 0.0 107.362 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.573 ' HB2' ' SG ' ' A' ' 12' ' ' CYS . 29.8 m-80 -84.4 -22.81 30.31 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 113.906 -1.497 . . . . 0.0 113.183 -172.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 24.9 p -140.69 1.25 1.7 Allowed 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.326 173.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.84 42.94 96.77 Favored Glycine 0 C--O 1.219 -0.794 0 N-CA-C 111.336 -0.706 . . . . 0.0 111.336 -176.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 77.9 ttt180 -121.51 149.89 42.42 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 120.196 -0.602 . . . . 0.0 111.817 -174.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -86.56 106.88 17.85 Favored 'General case' 0 CA--C 1.488 -1.411 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 45.3 t -132.14 143.19 40.8 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.799 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.422 -176.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.9 m -46.36 121.42 3.38 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 124.273 1.029 . . . . 0.0 111.227 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.23 -38.43 79.97 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 124.548 1.139 . . . . 0.0 112.157 -175.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -67.0 -22.08 65.92 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.405 0.621 . . . . 0.0 111.494 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.3 ttp85 -112.73 11.85 19.53 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.14 -175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.539 HD13 HD23 ' A' ' 28' ' ' LEU . 1.4 tm? -68.3 -41.69 80.53 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 121.831 -0.543 . . . . 0.0 111.31 -174.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' A' ' 29' ' ' GLN . . . -62.52 -44.07 97.26 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 111.516 0.191 . . . . 0.0 111.516 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.83 -40.62 88.03 Favored 'General case' 0 C--O 1.261 1.695 0 CA-C-O 122.278 1.037 . . . . 0.0 108.7 178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -59.92 -41.64 92.18 Favored 'General case' 0 C--O 1.191 -2.001 0 CA-C-N 114.104 -1.407 . . . . 0.0 109.657 175.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.539 HD23 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -65.91 -32.01 73.28 Favored 'General case' 0 CA--C 1.486 -1.484 0 C-N-CA 122.547 0.339 . . . . 0.0 110.924 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 25' ' ' ALA . 25.7 mm-40 -62.55 -45.71 91.68 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 174.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -67.32 -42.7 83.19 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.994 177.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 7.5 t -61.94 -40.79 96.72 Favored 'General case' 0 C--N 1.309 -1.186 0 C-N-CA 124.521 1.128 . . . . 0.0 110.059 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.93 -15.53 31.86 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -178.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 73.6 m -76.61 -5.67 48.74 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.816 0.817 . . . . 0.0 109.471 172.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -114.13 158.43 21.3 Favored 'General case' 0 N--CA 1.419 -1.978 0 CA-C-N 114.859 -1.064 . . . . 0.0 109.273 -178.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.74 126.59 8.06 Favored Glycine 0 N--CA 1.429 -1.821 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 178.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.19 -73.78 0.39 Allowed 'General case' 0 C--N 1.312 -1.053 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -93.87 -27.39 16.44 Favored 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 178.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 63.5 mtm-85 . . . . . 0 C--N 1.305 -1.356 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.63 -179.254 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_