data_5i1x_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 5i1x _Structure_validation_residue.Date_analyzed 2017-02-03 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.774 0.321 . . . . 64.32 111.087 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m -118.06 168.99 10.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 72.01 110.837 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -99.95 145.18 28.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 72.1 110.909 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -162.8 165.21 25.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.94 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 p -120.57 160.44 44.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 64.52 110.898 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -22.1 32.81 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.678 2.252 . . . . 75.44 112.377 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -79.18 -37.85 37.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.887 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -135.17 79.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.881 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -93.8 107.12 19.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.869 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.7 60.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 75.45 110.926 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.6 m -112.03 156.01 22.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 75.04 110.893 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.86 160.75 1.05 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.719 . . . . 73.24 110.892 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 175.01 8.75 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.253 . . . . 72.13 112.318 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 63.28 25.87 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.3 110.873 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -131.6 -178.09 4.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 71.1 110.922 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -152.53 108.02 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 73.1 110.853 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 t -58.94 126.13 26.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.904 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.2 t -98.33 111.7 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 70.15 110.839 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 m -70.11 -14.13 62.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.853 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -66.19 -59.13 4.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.474 . . . . 73.31 110.909 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.46 11.58 30.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.857 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.3 mt 51.65 41.68 29.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 71.4 110.874 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 -134.04 149.54 51.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 71.44 110.882 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.2 m -70.35 110.91 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.883 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -90.0 177.03 6.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 75.53 110.91 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 74.12 110.92 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 64.32 111.054 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -106.36 165.94 10.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 72.01 110.867 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.09 160.45 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 72.1 110.837 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -174.25 164.39 3.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 75.22 110.855 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -120.94 160.56 44.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.739 0.781 . . . . 64.52 110.861 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -25.98 28.23 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.647 2.231 . . . . 75.44 112.321 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -78.99 -37.9 38.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 72.32 110.92 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -132.4 77.17 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.922 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -92.55 106.97 18.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 73.41 110.838 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.82 55.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.859 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.4 m -104.2 156.03 18.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 75.04 110.88 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 m -51.95 160.69 1.09 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.641 0.734 . . . . 73.24 110.859 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 174.49 9.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 72.13 112.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 62.51 26.01 15.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 71.3 110.984 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -133.39 -177.04 4.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 71.1 110.948 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -151.59 108.04 3.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.886 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.5 t -58.37 122.34 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 75.22 110.844 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 t -94.93 111.81 23.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 70.15 110.841 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -70.19 -15.85 62.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.843 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -64.63 -59.11 4.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.929 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.64 11.03 32.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.895 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.6 mt 51.76 41.06 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 71.4 110.891 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.01 149.34 51.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.44 . . . . 71.44 110.962 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.4 m -69.39 111.07 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 75.22 110.923 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -90.17 169.86 10.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 75.53 110.918 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 74.12 110.967 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.756 0.313 . . . . 64.32 111.041 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -103.84 165.93 10.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 72.01 110.831 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -96.27 158.68 15.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 72.1 110.876 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -173.99 161.65 3.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 75.22 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -116.77 160.55 36.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 64.52 110.865 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -22.92 31.55 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.695 2.263 . . . . 75.44 112.339 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -78.64 -38.0 40.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.872 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -133.24 78.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 75.12 110.85 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -92.34 107.06 18.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.863 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 60.76 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 75.45 110.937 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.9 m -112.01 156.03 22.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.889 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 m -51.92 160.64 1.09 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.568 0.699 . . . . 73.24 110.922 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 175.12 8.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.224 . . . . 72.13 112.403 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 63.23 26.29 15.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 71.3 110.858 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -132.91 -178.74 5.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 71.1 110.868 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -151.65 107.96 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 73.1 110.904 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 t -57.99 128.92 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.965 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 t -101.93 111.42 23.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 70.15 110.838 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -70.12 -15.01 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.849 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -65.41 -59.11 4.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.945 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.03 11.49 31.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.943 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.8 mt 51.51 41.2 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.971 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.05 150.27 51.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 71.44 110.912 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.3 m -70.32 110.36 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.899 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -90.02 175.37 7.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.879 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.015 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.806 0.336 . . . . 64.32 111.136 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -116.35 168.98 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 72.01 110.776 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -99.83 131.25 45.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 72.1 110.908 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.04 178.37 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 75.22 110.857 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -133.33 160.51 68.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.67 0.748 . . . . 64.52 110.771 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -17.26 37.41 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.683 2.256 . . . . 75.44 112.362 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -94.33 -35.81 12.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.862 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -120.67 63.07 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 75.12 110.879 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -83.08 107.06 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.41 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.2 55.15 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 75.45 110.894 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.6 m -111.55 156.02 22.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 75.04 110.918 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.07 160.68 1.13 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.685 0.755 . . . . 73.24 110.829 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.36 4.67 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.683 2.255 . . . . 72.13 112.358 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m120 63.2 26.18 15.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 71.3 110.897 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -135.2 -177.67 4.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 71.1 110.94 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -152.36 107.98 3.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.1 110.971 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 t -57.47 119.47 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 75.22 110.885 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.2 t -91.96 111.88 23.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 70.15 110.869 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -70.04 -15.35 62.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.906 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? -65.15 -59.18 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 73.31 110.932 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.56 11.19 32.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.866 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.8 mt 51.73 40.89 28.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 71.4 110.931 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.01 149.28 51.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 71.44 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.5 m -68.33 109.67 3.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 75.22 110.837 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -89.98 170.45 10.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 75.53 110.89 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 74.12 110.944 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.742 0.306 . . . . 64.32 111.076 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -116.78 168.99 9.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.01 110.819 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -98.15 148.35 23.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 72.1 110.889 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -164.13 179.03 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 75.22 110.895 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -134.52 160.52 68.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 64.52 110.88 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -25.33 28.27 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.67 2.247 . . . . 75.44 112.284 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -78.89 -37.98 38.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 72.32 110.823 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -134.08 78.42 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.4 . . . . 75.12 110.955 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -96.37 106.98 19.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 73.41 110.83 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.26 60.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.861 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 m -112.04 156.05 22.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 75.04 110.898 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.94 160.82 1.05 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 73.24 110.885 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 176.99 6.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 72.13 112.365 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.16 25.77 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 71.3 110.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -133.29 -177.62 4.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 71.1 110.892 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -152.84 107.97 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 73.1 110.909 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.2 t -58.38 114.15 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 75.22 110.898 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.1 t -85.49 112.21 20.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 70.15 110.844 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 m -70.17 -15.99 63.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.862 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.54 -59.22 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 73.31 110.938 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.3 11.01 33.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.87 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 mt 51.61 40.91 28.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 71.4 110.918 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.03 148.85 51.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.44 110.924 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.6 m -68.62 111.43 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 75.22 110.871 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -89.95 179.25 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.922 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.1 p90 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.043 0.449 . . . . 74.12 110.853 -179.91 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.776 0.322 . . . . 64.32 111.11 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 m -98.25 169.02 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 72.01 110.835 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -102.05 129.83 48.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 72.1 110.893 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -143.33 178.92 7.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 75.22 110.887 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m -131.33 160.48 66.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.665 0.745 . . . . 64.52 110.91 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -16.71 37.38 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.647 2.232 . . . . 75.44 112.337 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -94.99 -32.02 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.886 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -134.31 69.33 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 75.12 110.853 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.85 111.61 23.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 73.41 110.815 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.65 59.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 75.45 110.892 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -112.03 155.95 22.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 75.04 110.857 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.88 160.61 1.09 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 73.24 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 179.38 3.72 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.685 2.257 . . . . 72.13 112.384 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 63.22 26.22 15.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 71.3 110.891 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -135.21 177.99 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 71.1 110.893 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -145.23 107.98 4.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 73.1 110.875 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -58.04 101.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.826 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.7 t -74.13 112.68 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 70.15 110.869 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -16.56 63.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 74.32 110.854 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -59.15 4.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 73.31 110.868 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.63 10.34 34.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 74.32 110.873 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.9 mt 51.63 40.97 28.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 71.4 110.888 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.11 149.85 51.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.263 -0.426 . . . . 71.44 110.926 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 m -68.8 110.07 4.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 75.22 110.884 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -90.16 170.56 10.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.898 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.9 p90 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.878 -179.913 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.819 0.342 . . . . 64.32 111.095 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -108.43 169.05 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 72.01 110.871 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 mmt-85 -98.38 140.82 32.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 72.1 110.851 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -155.83 173.28 16.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.22 110.851 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -127.21 160.45 59.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 64.52 110.892 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -19.34 36.0 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.728 2.285 . . . . 75.44 112.292 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -89.93 -34.57 15.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.834 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -130.43 70.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.874 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -92.2 106.98 18.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.837 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.67 58.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 75.45 110.834 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 m -112.1 156.04 22.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 75.04 110.819 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 m -51.93 160.65 1.09 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 73.24 110.875 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 179.51 3.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.223 . . . . 72.13 112.328 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 63.23 25.87 14.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 71.3 110.8 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -136.1 -179.61 5.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 71.1 110.933 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -150.22 107.94 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 73.1 110.946 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.9 t -55.44 118.13 4.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 75.22 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.4 t -90.82 112.05 23.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 70.15 110.9 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -70.15 -15.02 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.806 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.45 -59.19 4.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.885 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.94 11.58 31.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 74.32 110.871 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.2 mt 51.49 40.76 27.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 71.4 110.929 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -133.99 149.48 51.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 71.44 110.951 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.0 m -66.83 111.44 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 75.22 110.878 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -94.32 176.19 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 75.53 110.824 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.879 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.832 0.348 . . . . 64.32 111.136 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -114.8 164.25 14.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 72.01 110.884 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -97.5 137.16 36.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 72.1 110.889 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.5 p -155.5 159.02 39.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 75.22 110.87 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m -110.65 160.62 27.96 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.738 . . . . 64.52 110.868 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -25.92 27.87 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.664 2.243 . . . . 75.44 112.321 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -79.34 -38.0 36.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.913 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -129.5 75.54 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 75.12 110.939 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -92.01 106.99 18.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 73.41 110.93 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.82 56.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 75.45 110.947 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 79.9 m -106.06 156.06 18.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.939 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 m -51.9 160.71 1.07 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 73.24 110.857 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 174.46 9.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 72.13 112.303 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.7 m120 63.19 25.61 14.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 71.3 110.945 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -132.37 -177.65 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 71.1 110.97 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -153.04 108.01 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 73.1 110.895 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 t -57.29 133.68 55.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.883 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.0 t -106.98 111.54 24.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 70.15 110.866 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -14.36 62.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 74.32 110.816 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.05 -59.04 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.938 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.3 11.62 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.872 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.9 mt 51.41 41.05 27.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.897 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.02 151.6 51.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.899 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.5 m -70.8 110.27 5.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 75.22 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -89.92 166.66 13.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 75.53 110.894 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.0 p90 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.946 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.861 0.362 . . . . 64.32 111.108 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.8 m -115.79 169.0 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 72.01 110.869 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -94.04 147.35 23.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 72.1 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -164.93 160.84 19.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 75.22 110.912 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -119.42 160.51 41.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 64.52 110.824 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -16.91 38.03 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.638 2.225 . . . . 75.44 112.376 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -90.89 -36.82 13.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.91 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -129.74 70.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.852 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.47 109.95 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 73.41 110.862 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.62 57.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 75.45 110.848 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.6 m -107.35 156.05 19.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.891 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.89 160.85 1.03 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.604 0.716 . . . . 73.24 110.857 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 174.87 8.93 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.667 2.245 . . . . 72.13 112.326 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.8 m120 63.31 25.99 14.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 71.3 110.882 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -132.46 -177.63 4.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 71.1 110.893 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -151.65 108.09 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 73.1 110.857 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.7 t -56.55 129.21 39.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.862 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.3 t -102.55 111.74 24.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 70.15 110.847 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -15.08 62.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.845 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -65.37 -59.14 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 73.31 110.907 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.81 11.38 32.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.891 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.6 mt 51.56 40.59 27.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 71.4 110.891 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -134.02 151.09 51.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 71.44 110.907 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.0 m -69.0 109.53 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 75.22 110.874 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -90.01 179.63 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.866 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.964 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.765 0.317 . . . . 64.32 111.149 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -106.55 158.13 17.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 72.01 110.921 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.03 157.35 19.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 72.1 110.843 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -172.45 169.47 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 75.22 110.886 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -121.64 160.46 46.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.67 0.748 . . . . 64.52 110.864 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -23.78 30.44 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 75.44 112.387 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -87.37 -34.98 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 72.32 110.887 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -129.19 70.08 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 75.12 110.938 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -95.72 108.45 20.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.84 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.01 58.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.45 110.895 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 m -109.88 156.01 20.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 75.04 110.886 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -51.97 160.65 1.1 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.669 0.747 . . . . 73.24 110.826 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 178.81 4.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.275 . . . . 72.13 112.287 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 63.31 26.59 15.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 71.3 110.922 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -136.98 178.9 6.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 71.1 110.954 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -147.77 108.05 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.1 110.901 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -56.43 118.41 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 75.22 110.807 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.0 t -92.09 111.73 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 70.15 110.866 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -70.03 -16.27 63.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 74.32 110.893 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -64.5 -59.03 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 73.31 110.921 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.15 11.11 33.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 74.32 110.901 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.0 mt 51.54 40.26 26.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 71.4 110.892 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.06 150.56 51.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 71.44 110.923 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 m -68.63 112.64 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 75.22 110.857 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -94.32 177.44 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.943 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.883 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.823 0.344 . . . . 64.32 111.193 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -114.48 169.05 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.01 110.848 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.14 154.19 18.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 72.1 110.813 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -167.95 175.18 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.902 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -133.58 160.45 68.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.685 0.755 . . . . 64.52 110.85 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -22.65 31.9 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.728 2.286 . . . . 75.44 112.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -89.88 -31.9 17.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.871 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -130.53 68.8 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.904 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -94.21 107.15 19.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 73.41 110.89 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.94 57.86 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.45 110.871 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.5 m -109.45 156.04 20.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.835 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 m -51.89 160.72 1.06 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.69 0.757 . . . . 73.24 110.861 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 177.56 5.43 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.78 2.32 . . . . 72.13 112.364 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 63.34 25.99 14.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 71.3 110.865 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -133.73 -178.11 4.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 71.1 110.966 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -151.42 107.99 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 73.1 110.835 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -59.55 119.08 6.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 75.22 110.875 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.4 t -91.27 112.87 24.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 70.15 110.881 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -70.09 -15.89 63.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.087 -0.506 . . . . 74.32 110.889 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -64.8 -59.07 4.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 73.31 110.896 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.2 10.8 33.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 74.32 110.878 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.0 mt 51.45 40.87 27.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 71.4 110.945 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.08 150.31 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 71.44 110.881 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.2 m -69.93 111.29 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 75.22 110.871 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -90.02 173.7 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 75.53 110.921 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.946 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.812 0.339 . . . . 64.32 111.075 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -105.37 144.69 31.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 72.01 110.875 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 -71.87 160.44 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 72.1 110.963 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -174.24 166.29 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 75.22 110.919 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -127.56 160.43 60.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 64.52 110.809 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 -25.44 29.11 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.695 2.263 . . . . 75.44 112.339 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -79.71 -37.96 34.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 72.32 110.866 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -133.06 77.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 75.12 110.91 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -91.82 107.1 18.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.855 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 55.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 75.45 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.5 m -106.04 156.09 18.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 75.04 110.875 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -51.76 160.88 0.98 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.665 0.745 . . . . 73.24 110.894 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 177.75 5.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 72.13 112.357 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 58.41 25.28 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 71.3 110.849 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -129.33 -176.97 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 71.1 110.933 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.32 107.96 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 73.1 110.825 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.21 123.69 17.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 75.22 110.872 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 t -96.24 111.72 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 70.15 110.862 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.13 -15.58 62.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 74.32 110.852 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -64.93 -59.13 4.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.936 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.56 11.17 32.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.896 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.0 mt 51.6 41.17 28.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.4 110.915 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.11 149.69 51.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.936 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 m -71.01 111.97 6.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.927 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -89.96 169.65 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 75.53 110.881 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.89 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.774 0.321 . . . . 64.32 111.057 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.5 m -105.82 168.81 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 72.01 110.871 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.27 155.96 17.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.114 -0.494 . . . . 72.1 110.906 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -169.68 162.43 9.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 75.22 110.889 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 p -123.22 160.44 50.04 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.673 0.749 . . . . 64.52 110.899 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.72 -25.1 29.12 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.714 2.276 . . . . 75.44 112.328 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -77.99 -37.92 46.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 72.32 110.858 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -134.43 78.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 75.12 110.919 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.85 107.36 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.82 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.98 55.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.45 110.88 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.5 m -105.23 156.0 18.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 75.04 110.869 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -51.71 160.88 0.97 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 73.24 110.841 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 177.56 5.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 72.13 112.316 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 59.11 25.45 13.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 71.3 110.915 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -130.78 -176.6 4.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 71.1 110.964 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -152.35 108.02 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.1 110.937 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 t -57.75 128.76 38.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 75.22 110.856 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.1 t -102.56 111.58 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 70.15 110.847 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -70.05 -16.08 63.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 74.32 110.862 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mppp? -64.6 -59.09 4.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.3 11.16 33.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 74.32 110.917 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.0 mt 51.49 40.22 26.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 71.4 110.928 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.07 151.69 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 71.44 110.838 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.2 m -70.72 110.8 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.848 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -90.06 169.73 10.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 75.53 110.884 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 74.12 110.885 -179.921 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.821 0.343 . . . . 64.32 111.098 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -103.71 167.64 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 72.01 110.839 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.52 161.75 14.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 72.1 110.928 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -174.27 173.35 3.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.879 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -128.24 160.51 61.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.652 0.739 . . . . 64.52 110.833 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -23.05 30.97 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.7 2.267 . . . . 75.44 112.363 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -90.62 -37.86 13.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.918 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -121.77 64.81 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.809 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -86.51 109.72 19.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.896 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 56.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.45 110.866 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 m -108.78 156.0 20.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 75.04 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 m -51.76 160.8 1.0 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.642 0.734 . . . . 73.24 110.843 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 174.88 8.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.237 . . . . 72.13 112.353 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 63.41 25.59 14.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 71.3 110.881 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -131.73 -176.38 4.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 71.1 110.885 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -151.68 107.93 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 73.1 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.2 t -58.67 120.66 9.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 75.22 110.885 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.5 t -93.55 111.81 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 70.15 110.803 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -70.17 -16.98 63.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.91 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -59.13 4.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.859 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.73 10.78 34.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.848 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.3 mt 51.64 40.27 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.941 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.07 150.03 51.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 71.44 110.907 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.1 m -69.58 111.34 5.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 75.22 110.872 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -89.97 169.29 11.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 75.53 110.891 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.935 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.846 0.355 . . . . 64.32 111.067 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -117.0 168.72 9.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 72.01 110.871 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -96.46 155.18 16.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.875 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.8 p -171.2 165.3 7.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.22 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -121.62 160.54 45.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.69 0.757 . . . . 64.52 110.868 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -25.06 29.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 75.44 112.374 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 pttt -83.47 -36.39 24.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.904 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -129.16 72.22 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.884 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.44 107.72 19.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 73.41 110.843 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.32 57.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 75.45 110.923 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -107.83 155.99 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.04 110.887 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -51.98 160.63 1.11 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 73.24 110.927 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 174.43 9.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.645 2.23 . . . . 72.13 112.362 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 62.6 26.12 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 71.3 110.904 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -132.6 -176.92 4.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 71.1 110.925 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -151.44 108.05 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 73.1 110.841 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.9 t -59.1 123.57 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.847 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.3 t -96.04 111.82 23.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 70.15 110.876 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -70.1 -14.87 62.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 74.32 110.88 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -65.38 -59.17 4.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 73.31 110.92 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.14 11.39 31.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.884 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.1 mt 51.58 41.64 28.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.4 110.924 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -134.12 149.4 51.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.905 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 m -70.2 110.88 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 75.22 110.848 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -89.94 167.49 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 75.53 110.911 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 74.12 110.977 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.798 0.332 . . . . 64.32 111.061 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -97.25 167.31 11.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 72.01 110.93 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -97.92 156.34 16.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 72.1 110.939 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.5 p -173.67 150.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.875 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -99.64 160.59 26.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.734 0.778 . . . . 64.52 110.798 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -25.72 27.95 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.652 2.234 . . . . 75.44 112.332 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -81.03 -37.96 28.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 72.32 110.956 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.2 75.17 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.923 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -97.09 109.23 22.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.844 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.63 55.46 0.75 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.881 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 156.0 17.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.04 110.842 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -53.18 160.67 1.56 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.676 0.751 . . . . 73.24 110.877 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 175.33 8.23 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.633 2.222 . . . . 72.13 112.379 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 63.35 26.32 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 71.3 110.838 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -134.55 -178.66 5.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 71.1 110.938 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -150.17 107.97 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 73.1 110.91 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 t -56.54 128.77 37.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.914 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.8 t -103.09 112.91 25.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 70.15 110.871 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -70.19 -13.78 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 74.32 110.878 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -66.43 -59.14 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 73.31 110.895 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.79 11.68 29.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 74.32 110.835 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.6 mt 51.47 40.5 26.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 71.4 110.919 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -134.07 153.58 51.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.455 . . . . 71.44 110.899 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.5 m -71.2 114.92 9.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.22 110.888 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -95.16 166.86 11.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 75.53 110.933 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.905 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.712 0.291 . . . . 64.32 111.057 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -101.7 156.14 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 72.01 110.88 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.82 157.58 20.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 72.1 110.815 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -173.6 152.81 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 75.22 110.833 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -108.44 160.41 27.22 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.629 0.728 . . . . 64.52 110.861 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -21.52 33.34 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 2.236 . . . . 75.44 112.373 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -79.3 -38.09 36.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.867 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -129.64 77.11 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.864 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -88.46 106.96 18.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.911 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.75 58.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.877 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.3 m -112.07 156.02 22.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 75.04 110.855 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.75 160.85 0.99 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.686 0.755 . . . . 73.24 110.91 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 179.54 3.6 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.759 2.306 . . . . 72.13 112.353 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 m120 59.51 25.22 14.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 71.3 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -132.8 -177.36 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 71.1 110.919 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -154.47 107.95 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.1 110.854 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 t -56.03 133.26 51.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.945 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.6 t -106.68 111.67 24.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 70.15 110.843 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 m -70.09 -13.95 62.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.845 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -66.56 -59.1 3.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.89 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.23 11.57 31.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.855 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.8 mt 51.5 40.9 27.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 71.4 110.926 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.05 152.0 51.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 71.44 110.883 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.4 m -69.7 108.89 4.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 75.22 110.866 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -90.01 174.56 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 75.53 110.897 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.9 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 121.042 0.448 . . . . 74.12 110.859 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.848 0.356 . . . . 64.32 111.117 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -106.54 165.42 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 72.01 110.88 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -90.64 159.91 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 72.1 110.922 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.3 p -174.11 178.99 1.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 75.22 110.88 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -132.94 160.55 68.19 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.681 0.753 . . . . 64.52 110.852 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -19.04 36.31 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.677 2.251 . . . . 75.44 112.398 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -94.85 -33.86 12.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 72.32 110.96 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -126.73 64.6 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 75.12 110.859 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -86.9 107.17 18.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.815 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.56 56.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 75.45 110.904 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.63 156.0 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 75.04 110.9 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.03 160.64 1.13 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.686 0.755 . . . . 73.24 110.863 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.72 177.59 5.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 72.13 112.356 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 63.25 29.1 15.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.3 110.811 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -142.14 173.0 11.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 71.1 110.871 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.39 117.48 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 73.1 110.856 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.9 t -63.7 119.3 9.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.501 . . . . 75.22 110.878 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.7 t -89.62 113.56 25.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 70.15 110.884 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -70.06 -13.09 62.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 74.32 110.88 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -67.25 -59.11 3.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 73.31 110.892 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.21 12.4 28.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 74.32 110.953 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.2 mt 51.42 39.75 25.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 71.4 110.893 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.05 150.24 51.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.894 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 m -69.99 111.4 5.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -89.95 177.26 6.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.926 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 74.12 110.939 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.788 0.328 . . . . 64.32 111.121 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -111.85 168.91 9.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 72.01 110.812 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -97.62 160.14 14.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.1 110.874 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -173.53 175.46 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 75.22 110.914 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -130.16 160.47 65.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.642 0.734 . . . . 64.52 110.869 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -18.72 36.93 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.688 2.259 . . . . 75.44 112.387 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -88.97 -38.06 14.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.87 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -128.43 71.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.879 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.08 107.02 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 73.41 110.8 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.89 59.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 75.45 110.902 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 m -112.02 156.14 22.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 75.04 110.87 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -51.67 161.06 0.92 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 73.24 110.853 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 178.19 4.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 72.13 112.302 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m120 59.98 23.47 12.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 71.3 110.814 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -130.55 -176.95 4.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 71.1 110.919 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -153.48 114.09 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 73.1 110.82 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.72 132.34 53.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 75.22 110.909 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.6 t -105.15 112.14 25.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 70.15 110.877 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -70.2 -13.21 62.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 74.32 110.869 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -67.03 -59.18 3.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.867 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.77 11.88 29.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.874 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.9 mt 51.5 40.55 27.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.847 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -133.99 152.43 51.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 71.44 110.884 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.8 m -73.16 112.84 9.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.87 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -90.03 178.1 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.53 110.913 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.6 p90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.959 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.732 0.301 . . . . 64.32 111.108 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.7 m -104.14 162.76 12.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 72.01 110.844 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.02 154.84 19.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 72.1 110.853 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -169.41 175.08 5.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 75.22 110.919 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.56 160.27 65.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.672 0.748 . . . . 64.52 110.893 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -25.27 28.93 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 2.256 . . . . 75.44 112.4 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -84.46 -37.24 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 72.32 110.884 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -128.48 71.79 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 75.12 110.94 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -95.99 115.11 26.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.84 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -124.86 58.05 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 75.45 110.857 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.2 m -110.73 155.71 22.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 75.04 110.929 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.33 160.61 1.23 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.656 0.741 . . . . 73.24 110.808 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 178.71 4.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.706 2.271 . . . . 72.13 112.384 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 63.04 26.94 15.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 71.3 110.888 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -136.44 179.44 6.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 71.1 110.884 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -147.65 108.12 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 73.1 110.849 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -59.85 108.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 75.22 110.951 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.5 t -81.13 113.67 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 70.15 110.824 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -70.17 -17.51 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 74.32 110.874 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -59.13 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 73.31 110.89 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.26 9.95 35.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.848 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.6 mt 51.57 40.58 27.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 71.4 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.09 150.39 51.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.948 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.8 m -69.55 110.57 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 75.22 110.931 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -90.03 177.97 6.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.9 p90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 74.12 110.953 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.853 0.358 . . . . 53.33 110.86 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -119.02 91.81 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 74.15 110.911 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -98.83 99.3 10.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.839 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.5 p -69.94 156.51 39.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.874 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -80.37 179.95 7.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.35 110.913 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.34 -170.05 23.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 70.42 112.489 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.4 p90 -79.07 -33.44 44.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.315 . . . . 71.4 110.888 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.08 39.53 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 64.32 111.087 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m -118.06 168.99 10.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 72.01 110.837 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -99.95 145.18 28.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 72.1 110.909 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -162.8 165.21 25.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.94 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 p -120.57 160.44 44.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 64.52 110.898 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -22.1 32.81 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.678 2.252 . . . . 75.44 112.377 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -79.18 -37.85 37.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.887 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -135.17 79.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.881 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -93.8 107.12 19.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.869 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.7 60.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 75.45 110.926 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.6 m -112.03 156.01 22.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 75.04 110.893 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.86 160.75 1.05 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.719 . . . . 73.24 110.892 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 175.01 8.75 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.253 . . . . 72.13 112.318 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 63.28 25.87 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 71.3 110.873 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -131.6 -178.09 4.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 71.1 110.922 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -152.53 108.02 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 73.1 110.853 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 t -58.94 126.13 26.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.904 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.2 t -98.33 111.7 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 70.15 110.839 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 m -70.11 -14.13 62.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.853 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -66.19 -59.13 4.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.474 . . . . 73.31 110.909 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.46 11.58 30.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.857 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.3 mt 51.65 41.68 29.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 71.4 110.874 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 -134.04 149.54 51.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 71.44 110.882 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.2 m -70.35 110.91 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.883 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -90.0 177.03 6.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 75.53 110.91 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -88.65 131.64 34.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 74.12 110.92 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.92 -25.82 40.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.919 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.3 mt -99.8 132.47 45.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.128 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.8 t90 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.958 179.891 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.873 0.368 . . . . 53.33 110.909 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -174.17 161.58 3.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 74.15 110.874 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -101.39 98.55 8.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.823 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.2 p -69.11 168.39 14.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 75.11 110.809 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.49 179.87 5.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 74.35 110.931 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.89 -175.61 22.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.676 -0.773 . . . . 70.42 112.501 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.1 p90 -73.06 -30.46 63.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.743 0.306 . . . . 71.4 110.876 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.32 25.01 4.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.317 -0.401 . . . . 64.32 111.054 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -106.36 165.94 10.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 72.01 110.867 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.09 160.45 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 72.1 110.837 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -174.25 164.39 3.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 75.22 110.855 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -120.94 160.56 44.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.739 0.781 . . . . 64.52 110.861 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -25.98 28.23 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.647 2.231 . . . . 75.44 112.321 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -78.99 -37.9 38.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 72.32 110.92 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -132.4 77.17 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.922 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -92.55 106.97 18.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 73.41 110.838 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.82 55.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.859 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.4 m -104.2 156.03 18.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 75.04 110.88 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 m -51.95 160.69 1.09 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.641 0.734 . . . . 73.24 110.859 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 174.49 9.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 72.13 112.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 62.51 26.01 15.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 71.3 110.984 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -133.39 -177.04 4.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 71.1 110.948 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -151.59 108.04 3.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.886 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.5 t -58.37 122.34 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 75.22 110.844 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 t -94.93 111.81 23.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 70.15 110.841 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -70.19 -15.85 62.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.843 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -64.63 -59.11 4.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.929 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.64 11.03 32.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.895 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.6 mt 51.76 41.06 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 71.4 110.891 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.01 149.34 51.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.44 . . . . 71.44 110.962 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.4 m -69.39 111.07 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 75.22 110.923 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -90.17 169.86 10.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 75.53 110.918 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -85.01 142.54 29.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 74.12 110.967 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 -25.78 38.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 74.42 110.933 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 pt -73.65 164.62 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 74.33 111.154 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 13.7 m0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.474 . . . . 73.23 110.93 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.829 0.347 . . . . 53.33 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -148.31 157.24 43.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 74.15 110.929 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -105.36 102.37 11.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 74.34 110.859 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.3 p -120.24 167.85 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 75.11 110.915 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.4 mt -84.54 179.96 7.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 74.35 110.893 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.52 -173.07 24.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 70.42 112.48 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 42.3 p90 -78.24 -30.65 48.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 71.4 110.934 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.3 24.87 4.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 64.32 111.041 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -103.84 165.93 10.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 72.01 110.831 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -96.27 158.68 15.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 72.1 110.876 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -173.99 161.65 3.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 75.22 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -116.77 160.55 36.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 64.52 110.865 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -22.92 31.55 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.695 2.263 . . . . 75.44 112.339 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -78.64 -38.0 40.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.872 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -133.24 78.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 75.12 110.85 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -92.34 107.06 18.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.863 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 60.76 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 75.45 110.937 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.9 m -112.01 156.03 22.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.889 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 m -51.92 160.64 1.09 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.568 0.699 . . . . 73.24 110.922 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 175.12 8.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.224 . . . . 72.13 112.403 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 63.23 26.29 15.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 71.3 110.858 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -132.91 -178.74 5.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 71.1 110.868 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -151.65 107.96 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 73.1 110.904 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 t -57.99 128.92 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.965 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 t -101.93 111.42 23.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 70.15 110.838 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -70.12 -15.01 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.849 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -65.41 -59.11 4.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.945 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.03 11.49 31.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.943 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.8 mt 51.51 41.2 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.971 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.05 150.27 51.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 71.44 110.912 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.3 m -70.32 110.36 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.899 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -90.02 175.37 7.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.879 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -83.43 134.21 34.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.78 -25.77 63.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.831 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.6 mt -88.19 145.64 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.115 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.5 m95 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.87 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.864 0.364 . . . . 53.33 110.833 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -84.3 123.64 30.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 74.15 110.869 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.36 91.59 8.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.874 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 p -136.43 168.72 18.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.411 . . . . 75.11 110.939 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.79 179.83 7.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.35 110.985 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.08 -172.41 24.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 70.42 112.544 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -81.44 -33.93 31.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.769 0.319 . . . . 71.4 110.909 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.83 40.35 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 64.32 111.136 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -116.35 168.98 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 72.01 110.776 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -99.83 131.25 45.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 72.1 110.908 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.04 178.37 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 75.22 110.857 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -133.33 160.51 68.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.67 0.748 . . . . 64.52 110.771 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -17.26 37.41 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.683 2.256 . . . . 75.44 112.362 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -94.33 -35.81 12.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.862 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -120.67 63.07 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 75.12 110.879 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -83.08 107.06 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 73.41 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.2 55.15 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 75.45 110.894 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.6 m -111.55 156.02 22.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 75.04 110.918 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.07 160.68 1.13 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.685 0.755 . . . . 73.24 110.829 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.36 4.67 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.683 2.255 . . . . 72.13 112.358 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m120 63.2 26.18 15.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 71.3 110.897 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -135.2 -177.67 4.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 71.1 110.94 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -152.36 107.98 3.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.1 110.971 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 t -57.47 119.47 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 75.22 110.885 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.2 t -91.96 111.88 23.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 70.15 110.869 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -70.04 -15.35 62.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.906 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? -65.15 -59.18 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 73.31 110.932 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.56 11.19 32.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.866 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.8 mt 51.73 40.89 28.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 71.4 110.931 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.01 149.28 51.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 71.44 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.5 m -68.33 109.67 3.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 75.22 110.837 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -89.98 170.45 10.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 75.53 110.89 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 142.34 35.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 74.12 110.944 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -78.79 -25.68 44.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 74.42 110.921 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.5 mt -89.42 140.08 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.091 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 46.9 t90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.897 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.827 0.346 . . . . 53.33 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -128.02 142.5 51.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.15 110.899 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -72.96 90.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.852 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.0 p -128.69 151.25 49.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 75.11 110.919 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 13.2 mt -69.11 179.27 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.876 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.83 -170.51 24.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 70.42 112.451 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.8 p90 -81.64 -33.71 31.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.751 0.31 . . . . 71.4 110.882 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.36 38.48 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.419 . . . . 64.32 111.076 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -116.78 168.99 9.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 72.01 110.819 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -98.15 148.35 23.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 72.1 110.889 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -164.13 179.03 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 75.22 110.895 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -134.52 160.52 68.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 64.52 110.88 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -25.33 28.27 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.67 2.247 . . . . 75.44 112.284 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -78.89 -37.98 38.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 72.32 110.823 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -134.08 78.42 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.4 . . . . 75.12 110.955 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -96.37 106.98 19.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 73.41 110.83 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.26 60.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.861 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 m -112.04 156.05 22.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 75.04 110.898 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.94 160.82 1.05 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 73.24 110.885 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 176.99 6.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 72.13 112.365 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.16 25.77 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 71.3 110.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -133.29 -177.62 4.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 71.1 110.892 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -152.84 107.97 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 73.1 110.909 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.2 t -58.38 114.15 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 75.22 110.898 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.1 t -85.49 112.21 20.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 70.15 110.844 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 m -70.17 -15.99 63.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.862 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.54 -59.22 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 73.31 110.938 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.3 11.01 33.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.87 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 mt 51.61 40.91 28.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 71.4 110.918 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.03 148.85 51.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.44 110.924 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.6 m -68.62 111.43 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 75.22 110.871 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -89.95 179.25 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.922 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -89.08 141.26 28.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.043 0.449 . . . . 74.12 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -90.2 -25.72 20.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 74.42 110.951 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 mm -122.45 137.53 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 74.33 111.064 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 28.2 p90 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.111 -0.495 . . . . 73.23 110.955 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.881 0.372 . . . . 53.33 110.828 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -91.71 100.96 13.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 74.15 110.933 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -94.5 95.05 8.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.902 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.5 p -120.77 161.38 21.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 75.11 110.857 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.3 mt -75.36 172.6 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 74.35 110.989 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.31 173.09 31.07 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.817 -0.706 . . . . 70.42 112.497 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.7 p90 -74.2 -29.96 61.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.822 0.344 . . . . 71.4 110.954 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.19 24.91 4.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 64.32 111.11 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 m -98.25 169.02 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 72.01 110.835 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -102.05 129.83 48.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 72.1 110.893 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -143.33 178.92 7.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 75.22 110.887 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m -131.33 160.48 66.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.665 0.745 . . . . 64.52 110.91 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -16.71 37.38 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.647 2.232 . . . . 75.44 112.337 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -94.99 -32.02 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.886 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -134.31 69.33 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 75.12 110.853 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.85 111.61 23.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 73.41 110.815 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.65 59.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 75.45 110.892 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -112.03 155.95 22.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 75.04 110.857 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.88 160.61 1.09 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 73.24 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 179.38 3.72 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.685 2.257 . . . . 72.13 112.384 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 63.22 26.22 15.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 71.3 110.891 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -135.21 177.99 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 71.1 110.893 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -145.23 107.98 4.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 73.1 110.875 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -58.04 101.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.826 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.7 t -74.13 112.68 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 70.15 110.869 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -16.56 63.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 74.32 110.854 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -59.15 4.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 73.31 110.868 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.63 10.34 34.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 74.32 110.873 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.9 mt 51.63 40.97 28.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 71.4 110.888 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.11 149.85 51.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.263 -0.426 . . . . 71.44 110.926 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 m -68.8 110.07 4.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 75.22 110.884 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -90.16 170.56 10.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.898 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -81.45 133.87 35.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.878 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -85.15 -25.85 27.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.055 -0.521 . . . . 74.42 110.832 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.8 mt -51.77 144.51 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 74.33 111.094 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 7.7 m0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.934 179.85 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.3 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.801 0.334 . . . . 53.33 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -118.14 130.07 55.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 74.15 110.933 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -82.18 93.67 7.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.853 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.7 p -55.97 153.85 8.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 75.11 110.841 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.2 mt -66.72 178.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.88 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.56 -177.11 27.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.742 . . . . 70.42 112.448 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.7 p-90 -78.08 -32.88 50.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 71.4 110.911 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.45 33.27 1.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 64.32 111.095 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -108.43 169.05 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 72.01 110.871 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 mmt-85 -98.38 140.82 32.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 72.1 110.851 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -155.83 173.28 16.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.22 110.851 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -127.21 160.45 59.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 64.52 110.892 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -19.34 36.0 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.728 2.285 . . . . 75.44 112.292 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -89.93 -34.57 15.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.834 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -130.43 70.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.874 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -92.2 106.98 18.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.837 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.67 58.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 75.45 110.834 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 m -112.1 156.04 22.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 75.04 110.819 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 m -51.93 160.65 1.09 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 73.24 110.875 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 179.51 3.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.223 . . . . 72.13 112.328 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 63.23 25.87 14.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 71.3 110.8 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -136.1 -179.61 5.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 71.1 110.933 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -150.22 107.94 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 73.1 110.946 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.9 t -55.44 118.13 4.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 75.22 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.4 t -90.82 112.05 23.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 70.15 110.9 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -70.15 -15.02 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.806 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.45 -59.19 4.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.885 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.94 11.58 31.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 74.32 110.871 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.2 mt 51.49 40.76 27.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 71.4 110.929 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -133.99 149.48 51.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 71.44 110.951 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.0 m -66.83 111.44 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 75.22 110.878 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -94.32 176.19 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 75.53 110.824 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -82.5 147.98 28.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.879 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -77.47 -25.78 50.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 74.42 110.922 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.4 mt -98.63 140.55 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 74.33 111.13 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.982 179.863 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 65.0 p . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.817 0.341 . . . . 53.33 110.82 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -97.52 96.06 8.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 74.15 110.897 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -101.18 94.15 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 74.34 110.892 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.7 p -127.58 165.21 20.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 75.11 110.916 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 mt -85.97 174.62 9.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.858 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.06 -172.52 30.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 70.42 112.487 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -74.59 -33.67 62.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.778 0.323 . . . . 71.4 110.943 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.78 37.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 64.32 111.136 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -114.8 164.25 14.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 72.01 110.884 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -97.5 137.16 36.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 72.1 110.889 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.5 p -155.5 159.02 39.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 75.22 110.87 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m -110.65 160.62 27.96 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.738 . . . . 64.52 110.868 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -25.92 27.87 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.664 2.243 . . . . 75.44 112.321 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -79.34 -38.0 36.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.913 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -129.5 75.54 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 75.12 110.939 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -92.01 106.99 18.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 73.41 110.93 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.82 56.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 75.45 110.947 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 79.9 m -106.06 156.06 18.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.939 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 m -51.9 160.71 1.07 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 73.24 110.857 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 174.46 9.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 72.13 112.303 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.7 m120 63.19 25.61 14.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 71.3 110.945 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -132.37 -177.65 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 71.1 110.97 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -153.04 108.01 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 73.1 110.895 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 t -57.29 133.68 55.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.883 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.0 t -106.98 111.54 24.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 70.15 110.866 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -14.36 62.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 74.32 110.816 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.05 -59.04 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.938 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.3 11.62 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.872 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.9 mt 51.41 41.05 27.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.897 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.02 151.6 51.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 71.44 110.899 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.5 m -70.8 110.27 5.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 75.22 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -89.92 166.66 13.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 75.53 110.894 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -74.07 146.43 43.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.946 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.55 -25.65 22.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 74.42 110.891 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.4 mt -122.47 142.87 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.33 111.093 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 26.7 t90 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 73.23 110.956 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.84 0.352 . . . . 53.33 110.838 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -91.57 146.16 24.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 74.15 110.834 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -95.15 97.34 9.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 74.34 110.848 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.8 p -70.47 168.99 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.932 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.8 mt -80.19 179.91 7.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 74.35 110.984 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.79 162.8 14.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.705 -0.759 . . . . 70.42 112.448 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.1 p-90 -52.03 -33.81 40.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.788 0.328 . . . . 71.4 110.935 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.81 47.8 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 64.32 111.108 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.8 m -115.79 169.0 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 72.01 110.869 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -94.04 147.35 23.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 72.1 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -164.93 160.84 19.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 75.22 110.912 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -119.42 160.51 41.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 64.52 110.824 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -16.91 38.03 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.638 2.225 . . . . 75.44 112.376 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -90.89 -36.82 13.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.91 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -129.74 70.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.852 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.47 109.95 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 73.41 110.862 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.62 57.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 75.45 110.848 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.6 m -107.35 156.05 19.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.891 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.89 160.85 1.03 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.604 0.716 . . . . 73.24 110.857 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 174.87 8.93 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.667 2.245 . . . . 72.13 112.326 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.8 m120 63.31 25.99 14.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 71.3 110.882 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -132.46 -177.63 4.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 71.1 110.893 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -151.65 108.09 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 73.1 110.857 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.7 t -56.55 129.21 39.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.862 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.3 t -102.55 111.74 24.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 70.15 110.847 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -15.08 62.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.845 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -65.37 -59.14 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 73.31 110.907 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.81 11.38 32.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.891 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.6 mt 51.56 40.59 27.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 71.4 110.891 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -134.02 151.09 51.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 71.44 110.907 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.0 m -69.0 109.53 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 75.22 110.874 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -90.01 179.63 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.866 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -81.06 148.08 29.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.964 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -88.08 -25.82 22.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 74.42 110.868 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.6 mt -101.8 134.4 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 74.33 111.153 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.938 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.811 0.339 . . . . 53.33 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -105.03 124.17 49.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.15 110.904 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -85.94 94.53 9.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.877 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.0 p -132.37 154.18 50.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.91 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 mt -60.14 178.14 0.21 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.176 -0.465 . . . . 74.35 110.907 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.53 -173.84 23.12 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 70.42 112.488 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 37.5 p90 -76.75 -32.85 58.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.753 0.311 . . . . 71.4 110.918 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.55 29.18 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 64.32 111.149 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -106.55 158.13 17.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 72.01 110.921 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.03 157.35 19.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 72.1 110.843 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -172.45 169.47 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 75.22 110.886 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -121.64 160.46 46.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.67 0.748 . . . . 64.52 110.864 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -23.78 30.44 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 75.44 112.387 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -87.37 -34.98 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 72.32 110.887 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -129.19 70.08 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 75.12 110.938 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -95.72 108.45 20.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.84 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.01 58.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.45 110.895 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 m -109.88 156.01 20.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 75.04 110.886 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -51.97 160.65 1.1 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.669 0.747 . . . . 73.24 110.826 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 178.81 4.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.275 . . . . 72.13 112.287 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 63.31 26.59 15.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 71.3 110.922 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -136.98 178.9 6.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 71.1 110.954 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -147.77 108.05 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.1 110.901 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -56.43 118.41 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 75.22 110.807 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.0 t -92.09 111.73 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 70.15 110.866 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -70.03 -16.27 63.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 74.32 110.893 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -64.5 -59.03 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 73.31 110.921 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.15 11.11 33.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 74.32 110.901 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.0 mt 51.54 40.26 26.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 71.4 110.892 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.06 150.56 51.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 71.44 110.923 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 m -68.63 112.64 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 75.22 110.857 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -94.32 177.44 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.943 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -85.83 147.81 26.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.883 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.69 -25.79 49.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.911 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.2 mm -96.52 133.61 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.33 111.166 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 73.1 m95 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 73.23 110.907 179.917 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.843 0.354 . . . . 53.33 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -94.56 87.88 5.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 74.15 110.872 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.51 92.52 4.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 74.34 110.839 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.6 p -71.27 162.48 29.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 75.11 110.893 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.1 mt -84.4 179.36 7.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 74.35 110.937 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.51 -177.38 27.29 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.674 -0.774 . . . . 70.42 112.488 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -78.39 -33.86 48.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.814 0.34 . . . . 71.4 110.902 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.81 36.39 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 64.32 111.193 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -114.48 169.05 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.01 110.848 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.14 154.19 18.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 72.1 110.813 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -167.95 175.18 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.22 110.902 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -133.58 160.45 68.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.685 0.755 . . . . 64.52 110.85 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -22.65 31.9 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.728 2.286 . . . . 75.44 112.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -89.88 -31.9 17.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.871 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -130.53 68.8 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.904 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -94.21 107.15 19.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 73.41 110.89 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.94 57.86 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.45 110.871 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.5 m -109.45 156.04 20.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.835 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 m -51.89 160.72 1.06 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.69 0.757 . . . . 73.24 110.861 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 177.56 5.43 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.78 2.32 . . . . 72.13 112.364 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 63.34 25.99 14.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 71.3 110.865 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -133.73 -178.11 4.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 71.1 110.966 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -151.42 107.99 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 73.1 110.835 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -59.55 119.08 6.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 75.22 110.875 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.4 t -91.27 112.87 24.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 70.15 110.881 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -70.09 -15.89 63.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.087 -0.506 . . . . 74.32 110.889 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -64.8 -59.07 4.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 73.31 110.896 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.2 10.8 33.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 74.32 110.878 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.0 mt 51.45 40.87 27.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 71.4 110.945 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.08 150.31 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 71.44 110.881 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.2 m -69.93 111.29 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 75.22 110.871 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -90.02 173.7 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 75.53 110.921 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -87.27 124.76 33.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.946 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -25.85 61.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.885 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.7 mp -96.23 136.26 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.114 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 84.3 m95 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.47 . . . . 73.23 110.871 179.935 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.78 0.324 . . . . 53.33 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -100.37 119.89 39.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 74.15 110.847 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -108.07 104.43 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 74.34 110.88 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.9 p -99.05 170.29 8.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 75.11 110.876 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.16 173.66 9.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 74.35 110.903 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.0 -176.29 24.53 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 70.42 112.528 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.2 p90 -70.19 -34.3 72.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.756 0.313 . . . . 71.4 110.925 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.52 24.97 4.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 64.32 111.075 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -105.37 144.69 31.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 72.01 110.875 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 -71.87 160.44 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 72.1 110.963 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -174.24 166.29 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 75.22 110.919 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -127.56 160.43 60.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 64.52 110.809 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 -25.44 29.11 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.695 2.263 . . . . 75.44 112.339 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -79.71 -37.96 34.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 72.32 110.866 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -133.06 77.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 75.12 110.91 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -91.82 107.1 18.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 73.41 110.855 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 55.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 75.45 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.5 m -106.04 156.09 18.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 75.04 110.875 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -51.76 160.88 0.98 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.665 0.745 . . . . 73.24 110.894 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 177.75 5.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 72.13 112.357 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 58.41 25.28 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 71.3 110.849 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -129.33 -176.97 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 71.1 110.933 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.32 107.96 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 73.1 110.825 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.21 123.69 17.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 75.22 110.872 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 t -96.24 111.72 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 70.15 110.862 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.13 -15.58 62.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 74.32 110.852 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -64.93 -59.13 4.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.936 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.56 11.17 32.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.896 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.0 mt 51.6 41.17 28.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.4 110.915 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.11 149.69 51.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.936 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 m -71.01 111.97 6.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.927 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -89.96 169.65 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 75.53 110.881 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -85.79 124.64 32.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.89 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -79.28 -25.88 42.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 74.42 110.899 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.6 mm -75.13 134.64 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.144 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.85 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.777 0.322 . . . . 53.33 110.916 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 53.43 44.38 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.15 110.904 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -89.67 95.49 10.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 74.34 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.2 p -125.66 161.29 27.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 75.11 110.893 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.7 mt -85.63 171.93 11.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 74.35 110.894 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.11 166.52 29.8 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.715 -0.755 . . . . 70.42 112.485 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -61.16 -33.15 72.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 71.4 110.899 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.62 28.38 3.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 64.32 111.057 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.5 m -105.82 168.81 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 72.01 110.871 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.27 155.96 17.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.114 -0.494 . . . . 72.1 110.906 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -169.68 162.43 9.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 75.22 110.889 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 p -123.22 160.44 50.04 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.673 0.749 . . . . 64.52 110.899 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.72 -25.1 29.12 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.714 2.276 . . . . 75.44 112.328 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -77.99 -37.92 46.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 72.32 110.858 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -134.43 78.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 75.12 110.919 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.85 107.36 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 73.41 110.82 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.98 55.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.45 110.88 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.5 m -105.23 156.0 18.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 75.04 110.869 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -51.71 160.88 0.97 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 73.24 110.841 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 177.56 5.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 72.13 112.316 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 59.11 25.45 13.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 71.3 110.915 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -130.78 -176.6 4.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 71.1 110.964 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -152.35 108.02 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.1 110.937 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 t -57.75 128.76 38.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 75.22 110.856 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.1 t -102.56 111.58 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 70.15 110.847 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -70.05 -16.08 63.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 74.32 110.862 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mppp? -64.6 -59.09 4.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.3 11.16 33.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 74.32 110.917 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.0 mt 51.49 40.22 26.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 71.4 110.928 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.07 151.69 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 71.44 110.838 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.2 m -70.72 110.8 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 75.22 110.848 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -90.06 169.73 10.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 75.53 110.884 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -80.59 142.83 33.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 74.12 110.885 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -90.51 -25.55 20.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 74.42 110.864 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.6 mt -54.72 140.37 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 74.33 111.099 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.0 p90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 73.23 110.887 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.853 0.358 . . . . 53.33 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -57.83 132.55 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 74.15 110.808 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -107.99 104.52 13.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 74.34 110.851 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.4 p -149.72 173.25 13.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 75.11 110.915 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mt -92.69 148.84 21.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 74.35 110.908 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.57 169.46 53.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.686 -0.768 . . . . 70.42 112.481 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 30.6 p90 -66.32 -32.71 74.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.816 0.341 . . . . 71.4 110.923 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.27 25.36 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 64.32 111.098 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -103.71 167.64 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 72.01 110.839 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.52 161.75 14.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 72.1 110.928 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -174.27 173.35 3.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.22 110.879 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -128.24 160.51 61.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.652 0.739 . . . . 64.52 110.833 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -23.05 30.97 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.7 2.267 . . . . 75.44 112.363 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -90.62 -37.86 13.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.918 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -121.77 64.81 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.809 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -86.51 109.72 19.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.896 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 56.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.45 110.866 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 m -108.78 156.0 20.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 75.04 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 m -51.76 160.8 1.0 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.642 0.734 . . . . 73.24 110.843 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 174.88 8.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.237 . . . . 72.13 112.353 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 63.41 25.59 14.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 71.3 110.881 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -131.73 -176.38 4.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 71.1 110.885 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -151.68 107.93 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 73.1 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.2 t -58.67 120.66 9.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 75.22 110.885 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.5 t -93.55 111.81 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 70.15 110.803 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -70.17 -16.98 63.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.91 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -59.13 4.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.859 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.73 10.78 34.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.848 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.3 mt 51.64 40.27 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.941 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.07 150.03 51.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 71.44 110.907 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.1 m -69.58 111.34 5.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 75.22 110.872 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -89.97 169.29 11.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 75.53 110.891 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -86.76 141.82 28.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.935 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -25.88 38.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 74.42 110.885 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.3 mt -73.23 142.75 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 74.33 111.175 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 25.5 p90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 73.23 110.903 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.7 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.781 0.324 . . . . 53.33 110.792 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.96 30.37 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 74.15 110.844 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -106.18 99.78 9.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 74.34 110.913 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.4 p -140.2 152.65 46.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.879 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.9 mt -67.59 176.98 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 74.35 110.952 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -109.36 -172.98 20.88 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.782 -0.723 . . . . 70.42 112.511 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.1 p90 -71.84 -32.66 67.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 71.4 110.919 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.34 38.9 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 64.32 111.067 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -117.0 168.72 9.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 72.01 110.871 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -96.46 155.18 16.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.875 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.8 p -171.2 165.3 7.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.22 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -121.62 160.54 45.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.69 0.757 . . . . 64.52 110.868 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -25.06 29.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 75.44 112.374 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 pttt -83.47 -36.39 24.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.904 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -129.16 72.22 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.884 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.44 107.72 19.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 73.41 110.843 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.32 57.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 75.45 110.923 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -107.83 155.99 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.04 110.887 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -51.98 160.63 1.11 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 73.24 110.927 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 174.43 9.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.645 2.23 . . . . 72.13 112.362 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 62.6 26.12 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 71.3 110.904 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -132.6 -176.92 4.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 71.1 110.925 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -151.44 108.05 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 73.1 110.841 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.9 t -59.1 123.57 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.847 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.3 t -96.04 111.82 23.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 70.15 110.876 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -70.1 -14.87 62.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 74.32 110.88 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -65.38 -59.17 4.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 73.31 110.92 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.14 11.39 31.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.884 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.1 mt 51.58 41.64 28.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.4 110.924 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -134.12 149.4 51.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 71.44 110.905 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 m -70.2 110.88 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 75.22 110.848 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -89.94 167.49 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 75.53 110.911 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -82.27 125.19 30.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 74.12 110.977 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.7 ttpp -65.61 -26.98 68.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.881 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.3 pt -67.43 165.06 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 74.33 111.145 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 73.23 110.934 179.859 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.6 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.89 0.376 . . . . 53.33 110.839 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -97.48 130.78 44.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 74.15 110.885 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.21 93.62 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.833 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.6 p -146.7 -179.03 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.926 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.2 mt -88.07 160.55 17.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 74.35 110.864 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.94 173.52 50.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 70.42 112.427 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.9 p90 -66.13 -33.65 76.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 71.4 110.935 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.3 25.02 4.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 64.32 111.061 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -97.25 167.31 11.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 72.01 110.93 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -97.92 156.34 16.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 72.1 110.939 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.5 p -173.67 150.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.875 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -99.64 160.59 26.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.734 0.778 . . . . 64.52 110.798 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -25.72 27.95 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.652 2.234 . . . . 75.44 112.332 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -81.03 -37.96 28.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 72.32 110.956 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.2 75.17 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.923 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -97.09 109.23 22.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 73.41 110.844 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.63 55.46 0.75 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.881 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 156.0 17.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.04 110.842 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -53.18 160.67 1.56 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.676 0.751 . . . . 73.24 110.877 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 175.33 8.23 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.633 2.222 . . . . 72.13 112.379 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 63.35 26.32 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 71.3 110.838 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -134.55 -178.66 5.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 71.1 110.938 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -150.17 107.97 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 73.1 110.91 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 t -56.54 128.77 37.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.914 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.8 t -103.09 112.91 25.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 70.15 110.871 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -70.19 -13.78 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 74.32 110.878 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -66.43 -59.14 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 73.31 110.895 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.79 11.68 29.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 74.32 110.835 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.6 mt 51.47 40.5 26.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 71.4 110.919 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -134.07 153.58 51.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.455 . . . . 71.44 110.899 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.5 m -71.2 114.92 9.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.22 110.888 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -95.16 166.86 11.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 75.53 110.933 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -81.25 138.92 35.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.905 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -73.51 -25.89 60.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 74.42 110.887 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.3 mm -97.55 149.92 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 74.33 111.157 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 58.3 m95 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.868 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.877 0.37 . . . . 53.33 110.826 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -77.95 167.26 21.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 74.15 110.967 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -108.05 104.42 13.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.858 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.5 p -134.53 169.04 17.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.468 . . . . 75.11 110.943 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.6 mt -85.22 -179.95 7.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.886 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.63 -176.43 29.75 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.727 -0.749 . . . . 70.42 112.473 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.6 p90 -76.63 -33.09 58.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.772 0.32 . . . . 71.4 110.956 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.2 24.84 4.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 64.32 111.057 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -101.7 156.14 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 72.01 110.88 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.82 157.58 20.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 72.1 110.815 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -173.6 152.81 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 75.22 110.833 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -108.44 160.41 27.22 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.629 0.728 . . . . 64.52 110.861 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -21.52 33.34 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 2.236 . . . . 75.44 112.373 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -79.3 -38.09 36.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.867 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -129.64 77.11 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.864 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -88.46 106.96 18.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 73.41 110.911 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.75 58.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.877 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.3 m -112.07 156.02 22.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 75.04 110.855 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.75 160.85 0.99 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.686 0.755 . . . . 73.24 110.91 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 179.54 3.6 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.759 2.306 . . . . 72.13 112.353 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 m120 59.51 25.22 14.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 71.3 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -132.8 -177.36 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 71.1 110.919 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -154.47 107.95 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.1 110.854 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 t -56.03 133.26 51.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.945 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.6 t -106.68 111.67 24.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 70.15 110.843 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 m -70.09 -13.95 62.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.845 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -66.56 -59.1 3.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.89 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.23 11.57 31.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.855 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.8 mt 51.5 40.9 27.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 71.4 110.926 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.05 152.0 51.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 71.44 110.883 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.4 m -69.7 108.89 4.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 75.22 110.866 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -90.01 174.56 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 75.53 110.897 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -80.11 135.71 36.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.042 0.448 . . . . 74.12 110.859 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -63.6 -25.77 68.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 74.42 110.901 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.4 mm -96.78 139.8 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 74.33 111.132 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.2 m95 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.98 179.9 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.811 0.339 . . . . 53.33 110.829 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -128.13 90.05 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 74.15 110.861 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -104.34 101.94 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 74.34 110.888 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.5 p -80.28 155.5 27.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 75.11 110.89 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.7 mt -70.9 179.97 2.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 74.35 110.977 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.33 179.3 26.94 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 70.42 112.476 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -73.09 -33.34 65.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 71.4 110.953 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.51 30.32 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 64.32 111.117 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -106.54 165.42 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 72.01 110.88 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -90.64 159.91 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 72.1 110.922 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.3 p -174.11 178.99 1.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 75.22 110.88 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -132.94 160.55 68.19 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.681 0.753 . . . . 64.52 110.852 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -19.04 36.31 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.677 2.251 . . . . 75.44 112.398 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -94.85 -33.86 12.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 72.32 110.96 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -126.73 64.6 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 75.12 110.859 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -86.9 107.17 18.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 73.41 110.815 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.56 56.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 75.45 110.904 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.63 156.0 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 75.04 110.9 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.03 160.64 1.13 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.686 0.755 . . . . 73.24 110.863 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.72 177.59 5.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 72.13 112.356 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 63.25 29.1 15.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 71.3 110.811 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -142.14 173.0 11.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 71.1 110.871 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.39 117.48 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 73.1 110.856 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.9 t -63.7 119.3 9.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.501 . . . . 75.22 110.878 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.7 t -89.62 113.56 25.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 70.15 110.884 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -70.06 -13.09 62.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 74.32 110.88 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -67.25 -59.11 3.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 73.31 110.892 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.21 12.4 28.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 74.32 110.953 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.2 mt 51.42 39.75 25.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 71.4 110.893 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.05 150.24 51.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 71.44 110.894 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 m -69.99 111.4 5.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -89.95 177.26 6.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.926 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -81.3 131.87 35.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 74.12 110.939 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -60.4 -25.89 66.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.474 . . . . 74.42 110.903 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.0 mm -98.68 131.72 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 74.33 111.183 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.88 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.526 0.03 0 CA-C-O 120.867 0.365 . . . . 53.33 110.932 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -105.51 45.91 0.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.027 -0.533 . . . . 74.15 110.833 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -93.15 97.14 10.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.843 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.9 p -118.24 154.32 32.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.924 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 mt -79.71 171.4 15.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 74.35 110.937 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.87 171.97 33.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 70.42 112.453 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -63.44 -32.51 73.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.807 0.337 . . . . 71.4 110.913 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.52 36.94 1.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 64.32 111.121 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -111.85 168.91 9.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 72.01 110.812 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -97.62 160.14 14.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.1 110.874 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -173.53 175.46 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 75.22 110.914 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -130.16 160.47 65.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.642 0.734 . . . . 64.52 110.869 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -18.72 36.93 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.688 2.259 . . . . 75.44 112.387 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -88.97 -38.06 14.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.87 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -128.43 71.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.879 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.08 107.02 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 73.41 110.8 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.89 59.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 75.45 110.902 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 m -112.02 156.14 22.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 75.04 110.87 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -51.67 161.06 0.92 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 73.24 110.853 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 178.19 4.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 72.13 112.302 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m120 59.98 23.47 12.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 71.3 110.814 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -130.55 -176.95 4.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 71.1 110.919 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -153.48 114.09 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 73.1 110.82 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.72 132.34 53.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 75.22 110.909 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.6 t -105.15 112.14 25.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 70.15 110.877 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -70.2 -13.21 62.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 74.32 110.869 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -67.03 -59.18 3.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.867 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.77 11.88 29.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.874 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.9 mt 51.5 40.55 27.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.847 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -133.99 152.43 51.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 71.44 110.884 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.8 m -73.16 112.84 9.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.87 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -90.03 178.1 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.53 110.913 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -88.18 142.36 27.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.959 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -93.48 -25.76 17.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 74.42 110.863 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.9 mp -72.29 134.05 30.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 74.33 111.089 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 73.23 110.921 179.895 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.873 0.368 . . . . 53.33 110.835 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.05 128.23 35.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 74.15 110.875 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -79.19 92.92 5.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 74.34 110.883 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.6 p -61.18 167.95 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.11 110.903 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.4 mt -84.12 178.82 7.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.965 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.37 173.58 24.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 70.42 112.497 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.2 p-90 -72.1 -32.11 66.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.746 0.308 . . . . 71.4 110.895 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.48 27.32 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 64.32 111.108 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.7 m -104.14 162.76 12.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 72.01 110.844 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.02 154.84 19.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 72.1 110.853 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -169.41 175.08 5.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 75.22 110.919 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.56 160.27 65.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.672 0.748 . . . . 64.52 110.893 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -25.27 28.93 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 2.256 . . . . 75.44 112.4 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -84.46 -37.24 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 72.32 110.884 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -128.48 71.79 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 75.12 110.94 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -95.99 115.11 26.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.84 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -124.86 58.05 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 75.45 110.857 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.2 m -110.73 155.71 22.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 75.04 110.929 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.33 160.61 1.23 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.656 0.741 . . . . 73.24 110.808 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 178.71 4.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.706 2.271 . . . . 72.13 112.384 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 63.04 26.94 15.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 71.3 110.888 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -136.44 179.44 6.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 71.1 110.884 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -147.65 108.12 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 73.1 110.849 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -59.85 108.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 75.22 110.951 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.5 t -81.13 113.67 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 70.15 110.824 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -70.17 -17.51 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 74.32 110.874 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -59.13 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 73.31 110.89 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.26 9.95 35.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.848 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.6 mt 51.57 40.58 27.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 71.4 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.09 150.39 51.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 71.44 110.948 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.8 m -69.55 110.57 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 75.22 110.931 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -90.03 177.97 6.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -85.35 140.67 30.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 74.12 110.953 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -87.83 -25.8 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.883 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.3 mt -53.66 134.37 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.133 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 4.2 t90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 73.23 110.919 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.774 0.321 . . . . 64.32 111.087 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m -118.06 168.99 10.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 53.42 110.837 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -99.95 145.18 28.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 72.1 110.909 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -162.8 165.21 25.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.94 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 p -120.57 160.44 44.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 64.52 110.898 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -22.1 32.81 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.678 2.252 . . . . 74.03 112.377 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -79.18 -37.85 37.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.887 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -135.17 79.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.881 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -93.8 107.12 19.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 62.32 110.869 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.7 60.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 75.45 110.926 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.6 m -112.03 156.01 22.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 75.04 110.893 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.86 160.75 1.05 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.719 . . . . 73.24 110.892 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 175.01 8.75 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.253 . . . . 72.13 112.318 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 63.28 25.87 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 70.15 110.873 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -131.6 -178.09 4.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 62.51 110.922 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -152.53 108.02 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 73.1 110.853 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 t -58.94 126.13 26.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.904 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.2 t -98.33 111.7 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 34.44 110.839 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 m -70.11 -14.13 62.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.853 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -66.19 -59.13 4.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.474 . . . . 73.31 110.909 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.46 11.58 30.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.857 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.3 mt 51.65 41.68 29.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 71.4 110.874 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 -134.04 149.54 51.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 70.15 110.882 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.2 m -70.35 110.91 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 65.15 110.883 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -90.0 177.03 6.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 75.53 110.91 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 74.12 110.92 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 64.32 111.054 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -106.36 165.94 10.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 53.42 110.867 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.09 160.45 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 72.1 110.837 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -174.25 164.39 3.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.855 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -120.94 160.56 44.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.739 0.781 . . . . 64.52 110.861 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -25.98 28.23 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.647 2.231 . . . . 74.03 112.321 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -78.99 -37.9 38.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 72.32 110.92 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -132.4 77.17 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.922 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -92.55 106.97 18.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 62.32 110.838 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.82 55.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.859 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.4 m -104.2 156.03 18.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 75.04 110.88 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 m -51.95 160.69 1.09 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.641 0.734 . . . . 73.24 110.859 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 174.49 9.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 72.13 112.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 62.51 26.01 15.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 70.15 110.984 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -133.39 -177.04 4.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 62.51 110.948 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -151.59 108.04 3.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.886 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.5 t -58.37 122.34 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 75.22 110.844 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 t -94.93 111.81 23.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 34.44 110.841 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -70.19 -15.85 62.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.843 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -64.63 -59.11 4.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.929 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.64 11.03 32.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.895 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.6 mt 51.76 41.06 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 71.4 110.891 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.01 149.34 51.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.44 . . . . 70.15 110.962 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.4 m -69.39 111.07 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 65.15 110.923 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -90.17 169.86 10.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 75.53 110.918 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 74.12 110.967 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.756 0.313 . . . . 64.32 111.041 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -103.84 165.93 10.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 53.42 110.831 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -96.27 158.68 15.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 72.1 110.876 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -173.99 161.65 3.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 75.14 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -116.77 160.55 36.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 64.52 110.865 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -22.92 31.55 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.695 2.263 . . . . 74.03 112.339 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -78.64 -38.0 40.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.872 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -133.24 78.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 75.12 110.85 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -92.34 107.06 18.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 62.32 110.863 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 60.76 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 75.45 110.937 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.9 m -112.01 156.03 22.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.889 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 m -51.92 160.64 1.09 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.568 0.699 . . . . 73.24 110.922 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 175.12 8.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.224 . . . . 72.13 112.403 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 63.23 26.29 15.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 70.15 110.858 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -132.91 -178.74 5.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 62.51 110.868 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -151.65 107.96 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 73.1 110.904 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 t -57.99 128.92 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.965 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 t -101.93 111.42 23.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 34.44 110.838 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -70.12 -15.01 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.849 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -65.41 -59.11 4.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.945 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.03 11.49 31.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.943 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.8 mt 51.51 41.2 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.971 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.05 150.27 51.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 70.15 110.912 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.3 m -70.32 110.36 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 65.15 110.899 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -90.02 175.37 7.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.879 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.015 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.806 0.336 . . . . 64.32 111.136 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -116.35 168.98 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 53.42 110.776 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -99.83 131.25 45.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 72.1 110.908 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.04 178.37 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.857 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -133.33 160.51 68.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.67 0.748 . . . . 64.52 110.771 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -17.26 37.41 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.683 2.256 . . . . 74.03 112.362 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -94.33 -35.81 12.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.862 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -120.67 63.07 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 75.12 110.879 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -83.08 107.06 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 62.32 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.2 55.15 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 75.45 110.894 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.6 m -111.55 156.02 22.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 75.04 110.918 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.07 160.68 1.13 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.685 0.755 . . . . 73.24 110.829 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.36 4.67 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.683 2.255 . . . . 72.13 112.358 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m120 63.2 26.18 15.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 70.15 110.897 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -135.2 -177.67 4.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 62.51 110.94 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -152.36 107.98 3.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.1 110.971 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 t -57.47 119.47 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 75.22 110.885 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.2 t -91.96 111.88 23.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 34.44 110.869 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -70.04 -15.35 62.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.906 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? -65.15 -59.18 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 73.31 110.932 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.56 11.19 32.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.866 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.8 mt 51.73 40.89 28.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 71.4 110.931 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.01 149.28 51.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 70.15 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.5 m -68.33 109.67 3.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 65.15 110.837 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -89.98 170.45 10.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 75.53 110.89 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 74.12 110.944 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.742 0.306 . . . . 64.32 111.076 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -116.78 168.99 9.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 53.42 110.819 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -98.15 148.35 23.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 72.1 110.889 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -164.13 179.03 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.895 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -134.52 160.52 68.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 64.52 110.88 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -25.33 28.27 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.67 2.247 . . . . 74.03 112.284 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -78.89 -37.98 38.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 72.32 110.823 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -134.08 78.42 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.4 . . . . 75.12 110.955 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -96.37 106.98 19.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 62.32 110.83 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.26 60.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.861 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 m -112.04 156.05 22.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 75.04 110.898 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.94 160.82 1.05 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 73.24 110.885 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 176.99 6.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 72.13 112.365 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.16 25.77 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 70.15 110.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -133.29 -177.62 4.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 62.51 110.892 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -152.84 107.97 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 73.1 110.909 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.2 t -58.38 114.15 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 75.22 110.898 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.1 t -85.49 112.21 20.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 34.44 110.844 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 m -70.17 -15.99 63.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.862 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.54 -59.22 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 73.31 110.938 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.3 11.01 33.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.87 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 mt 51.61 40.91 28.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 71.4 110.918 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.03 148.85 51.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 70.15 110.924 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.6 m -68.62 111.43 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 65.15 110.871 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -89.95 179.25 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.922 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.1 p90 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.043 0.449 . . . . 74.12 110.853 -179.91 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.776 0.322 . . . . 64.32 111.11 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 m -98.25 169.02 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 53.42 110.835 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -102.05 129.83 48.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 72.1 110.893 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -143.33 178.92 7.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 75.14 110.887 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m -131.33 160.48 66.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.665 0.745 . . . . 64.52 110.91 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -16.71 37.38 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.647 2.232 . . . . 74.03 112.337 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -94.99 -32.02 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.886 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -134.31 69.33 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 75.12 110.853 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.85 111.61 23.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 62.32 110.815 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.65 59.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 75.45 110.892 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -112.03 155.95 22.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 75.04 110.857 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.88 160.61 1.09 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 73.24 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 179.38 3.72 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.685 2.257 . . . . 72.13 112.384 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 63.22 26.22 15.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 70.15 110.891 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -135.21 177.99 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 62.51 110.893 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -145.23 107.98 4.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 73.1 110.875 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -58.04 101.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.826 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.7 t -74.13 112.68 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 34.44 110.869 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -16.56 63.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 74.32 110.854 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -59.15 4.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 73.31 110.868 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.63 10.34 34.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 74.32 110.873 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.9 mt 51.63 40.97 28.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 71.4 110.888 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.11 149.85 51.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.263 -0.426 . . . . 70.15 110.926 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 m -68.8 110.07 4.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 65.15 110.884 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -90.16 170.56 10.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.898 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.9 p90 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.878 -179.913 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.819 0.342 . . . . 64.32 111.095 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -108.43 169.05 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 53.42 110.871 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 mmt-85 -98.38 140.82 32.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 72.1 110.851 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -155.83 173.28 16.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.851 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -127.21 160.45 59.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 64.52 110.892 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -19.34 36.0 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.728 2.285 . . . . 74.03 112.292 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -89.93 -34.57 15.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.834 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -130.43 70.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.874 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -92.2 106.98 18.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 62.32 110.837 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.67 58.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 75.45 110.834 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 m -112.1 156.04 22.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 75.04 110.819 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 m -51.93 160.65 1.09 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 73.24 110.875 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 179.51 3.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.223 . . . . 72.13 112.328 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 63.23 25.87 14.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 70.15 110.8 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -136.1 -179.61 5.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 62.51 110.933 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -150.22 107.94 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 73.1 110.946 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.9 t -55.44 118.13 4.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 75.22 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.4 t -90.82 112.05 23.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 34.44 110.9 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -70.15 -15.02 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.806 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.45 -59.19 4.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.885 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.94 11.58 31.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 74.32 110.871 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.2 mt 51.49 40.76 27.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 71.4 110.929 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -133.99 149.48 51.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 70.15 110.951 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.0 m -66.83 111.44 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 65.15 110.878 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -94.32 176.19 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 75.53 110.824 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.879 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.832 0.348 . . . . 64.32 111.136 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -114.8 164.25 14.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 53.42 110.884 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -97.5 137.16 36.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 72.1 110.889 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.5 p -155.5 159.02 39.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.87 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m -110.65 160.62 27.96 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.738 . . . . 64.52 110.868 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -25.92 27.87 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.664 2.243 . . . . 74.03 112.321 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -79.34 -38.0 36.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.913 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -129.5 75.54 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 75.12 110.939 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -92.01 106.99 18.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 62.32 110.93 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.82 56.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 75.45 110.947 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 79.9 m -106.06 156.06 18.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.939 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 m -51.9 160.71 1.07 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 73.24 110.857 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 174.46 9.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 72.13 112.303 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.7 m120 63.19 25.61 14.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 70.15 110.945 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -132.37 -177.65 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 62.51 110.97 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -153.04 108.01 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 73.1 110.895 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 t -57.29 133.68 55.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.883 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.0 t -106.98 111.54 24.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 34.44 110.866 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -14.36 62.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 74.32 110.816 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.05 -59.04 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.938 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.3 11.62 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.872 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.9 mt 51.41 41.05 27.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.897 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.02 151.6 51.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 70.15 110.899 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.5 m -70.8 110.27 5.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 65.15 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -89.92 166.66 13.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 75.53 110.894 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.0 p90 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.946 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.861 0.362 . . . . 64.32 111.108 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.8 m -115.79 169.0 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 53.42 110.869 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -94.04 147.35 23.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 72.1 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -164.93 160.84 19.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.912 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -119.42 160.51 41.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 64.52 110.824 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -16.91 38.03 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.638 2.225 . . . . 74.03 112.376 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -90.89 -36.82 13.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.91 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -129.74 70.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.852 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.47 109.95 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 62.32 110.862 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.62 57.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 75.45 110.848 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.6 m -107.35 156.05 19.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.891 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.89 160.85 1.03 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.604 0.716 . . . . 73.24 110.857 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 174.87 8.93 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.667 2.245 . . . . 72.13 112.326 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.8 m120 63.31 25.99 14.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 70.15 110.882 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -132.46 -177.63 4.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 62.51 110.893 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -151.65 108.09 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 73.1 110.857 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.7 t -56.55 129.21 39.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.862 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.3 t -102.55 111.74 24.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 34.44 110.847 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -15.08 62.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.845 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -65.37 -59.14 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 73.31 110.907 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.81 11.38 32.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.891 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.6 mt 51.56 40.59 27.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 71.4 110.891 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -134.02 151.09 51.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 70.15 110.907 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.0 m -69.0 109.53 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 65.15 110.874 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -90.01 179.63 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.866 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.964 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.765 0.317 . . . . 64.32 111.149 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -106.55 158.13 17.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 53.42 110.921 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.03 157.35 19.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 72.1 110.843 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -172.45 169.47 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 75.14 110.886 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -121.64 160.46 46.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.67 0.748 . . . . 64.52 110.864 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -23.78 30.44 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 74.03 112.387 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -87.37 -34.98 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 72.32 110.887 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -129.19 70.08 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 75.12 110.938 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -95.72 108.45 20.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 62.32 110.84 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.01 58.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.45 110.895 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 m -109.88 156.01 20.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 75.04 110.886 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -51.97 160.65 1.1 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.669 0.747 . . . . 73.24 110.826 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 178.81 4.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.275 . . . . 72.13 112.287 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 63.31 26.59 15.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 70.15 110.922 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -136.98 178.9 6.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 62.51 110.954 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -147.77 108.05 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.1 110.901 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -56.43 118.41 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 75.22 110.807 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.0 t -92.09 111.73 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 34.44 110.866 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -70.03 -16.27 63.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 74.32 110.893 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -64.5 -59.03 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 73.31 110.921 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.15 11.11 33.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 74.32 110.901 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.0 mt 51.54 40.26 26.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 71.4 110.892 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.06 150.56 51.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 70.15 110.923 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 m -68.63 112.64 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 65.15 110.857 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -94.32 177.44 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.943 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.883 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.823 0.344 . . . . 64.32 111.193 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -114.48 169.05 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 53.42 110.848 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.14 154.19 18.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 72.1 110.813 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -167.95 175.18 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.902 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -133.58 160.45 68.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.685 0.755 . . . . 64.52 110.85 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -22.65 31.9 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.728 2.286 . . . . 74.03 112.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -89.88 -31.9 17.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.871 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -130.53 68.8 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.904 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -94.21 107.15 19.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 62.32 110.89 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.94 57.86 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.45 110.871 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.5 m -109.45 156.04 20.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.835 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 m -51.89 160.72 1.06 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.69 0.757 . . . . 73.24 110.861 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 177.56 5.43 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.78 2.32 . . . . 72.13 112.364 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 63.34 25.99 14.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 70.15 110.865 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -133.73 -178.11 4.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 62.51 110.966 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -151.42 107.99 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 73.1 110.835 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -59.55 119.08 6.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 75.22 110.875 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.4 t -91.27 112.87 24.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 34.44 110.881 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -70.09 -15.89 63.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.087 -0.506 . . . . 74.32 110.889 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -64.8 -59.07 4.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 73.31 110.896 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.2 10.8 33.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 74.32 110.878 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.0 mt 51.45 40.87 27.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 71.4 110.945 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.08 150.31 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 70.15 110.881 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.2 m -69.93 111.29 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 65.15 110.871 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -90.02 173.7 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 75.53 110.921 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.946 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.812 0.339 . . . . 64.32 111.075 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -105.37 144.69 31.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 53.42 110.875 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 -71.87 160.44 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 72.1 110.963 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -174.24 166.29 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 75.14 110.919 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -127.56 160.43 60.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 64.52 110.809 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 -25.44 29.11 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.695 2.263 . . . . 74.03 112.339 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -79.71 -37.96 34.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 72.32 110.866 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -133.06 77.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 75.12 110.91 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -91.82 107.1 18.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 62.32 110.855 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 55.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 75.45 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.5 m -106.04 156.09 18.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 75.04 110.875 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -51.76 160.88 0.98 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.665 0.745 . . . . 73.24 110.894 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 177.75 5.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 72.13 112.357 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 58.41 25.28 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 70.15 110.849 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -129.33 -176.97 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 62.51 110.933 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.32 107.96 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 73.1 110.825 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.21 123.69 17.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 75.22 110.872 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 t -96.24 111.72 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 34.44 110.862 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.13 -15.58 62.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 74.32 110.852 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -64.93 -59.13 4.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.936 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.56 11.17 32.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.896 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.0 mt 51.6 41.17 28.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.4 110.915 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.11 149.69 51.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 70.15 110.936 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 m -71.01 111.97 6.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 65.15 110.927 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -89.96 169.65 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 75.53 110.881 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.89 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.774 0.321 . . . . 64.32 111.057 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.5 m -105.82 168.81 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 53.42 110.871 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.27 155.96 17.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.114 -0.494 . . . . 72.1 110.906 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -169.68 162.43 9.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 75.14 110.889 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 p -123.22 160.44 50.04 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.673 0.749 . . . . 64.52 110.899 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.72 -25.1 29.12 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.714 2.276 . . . . 74.03 112.328 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -77.99 -37.92 46.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 72.32 110.858 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -134.43 78.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 75.12 110.919 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.85 107.36 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 62.32 110.82 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.98 55.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.45 110.88 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.5 m -105.23 156.0 18.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 75.04 110.869 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -51.71 160.88 0.97 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 73.24 110.841 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 177.56 5.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 72.13 112.316 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 59.11 25.45 13.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 70.15 110.915 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -130.78 -176.6 4.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 62.51 110.964 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -152.35 108.02 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.1 110.937 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 t -57.75 128.76 38.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 75.22 110.856 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.1 t -102.56 111.58 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 34.44 110.847 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -70.05 -16.08 63.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 74.32 110.862 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mppp? -64.6 -59.09 4.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.3 11.16 33.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 74.32 110.917 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.0 mt 51.49 40.22 26.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 71.4 110.928 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.07 151.69 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 70.15 110.838 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.2 m -70.72 110.8 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 65.15 110.848 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -90.06 169.73 10.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 75.53 110.884 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 74.12 110.885 -179.921 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.821 0.343 . . . . 64.32 111.098 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -103.71 167.64 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 53.42 110.839 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.52 161.75 14.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 72.1 110.928 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -174.27 173.35 3.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.14 110.879 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -128.24 160.51 61.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.652 0.739 . . . . 64.52 110.833 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -23.05 30.97 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.7 2.267 . . . . 74.03 112.363 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -90.62 -37.86 13.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.918 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -121.77 64.81 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.809 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -86.51 109.72 19.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 62.32 110.896 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 56.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.45 110.866 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 m -108.78 156.0 20.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 75.04 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 m -51.76 160.8 1.0 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.642 0.734 . . . . 73.24 110.843 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 174.88 8.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.237 . . . . 72.13 112.353 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 63.41 25.59 14.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 70.15 110.881 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -131.73 -176.38 4.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 62.51 110.885 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -151.68 107.93 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 73.1 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.2 t -58.67 120.66 9.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 75.22 110.885 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.5 t -93.55 111.81 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 34.44 110.803 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -70.17 -16.98 63.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.91 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -59.13 4.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.859 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.73 10.78 34.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.848 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.3 mt 51.64 40.27 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.941 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.07 150.03 51.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 70.15 110.907 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.1 m -69.58 111.34 5.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 65.15 110.872 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -89.97 169.29 11.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 75.53 110.891 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.935 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.846 0.355 . . . . 64.32 111.067 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -117.0 168.72 9.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 53.42 110.871 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -96.46 155.18 16.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.875 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.8 p -171.2 165.3 7.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.14 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -121.62 160.54 45.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.69 0.757 . . . . 64.52 110.868 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -25.06 29.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 74.03 112.374 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 pttt -83.47 -36.39 24.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.904 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -129.16 72.22 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.884 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.44 107.72 19.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 62.32 110.843 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.32 57.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 75.45 110.923 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -107.83 155.99 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.04 110.887 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -51.98 160.63 1.11 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 73.24 110.927 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 174.43 9.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.645 2.23 . . . . 72.13 112.362 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 62.6 26.12 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 70.15 110.904 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -132.6 -176.92 4.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 62.51 110.925 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -151.44 108.05 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 73.1 110.841 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.9 t -59.1 123.57 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.847 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.3 t -96.04 111.82 23.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 34.44 110.876 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -70.1 -14.87 62.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 74.32 110.88 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -65.38 -59.17 4.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 73.31 110.92 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.14 11.39 31.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.884 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.1 mt 51.58 41.64 28.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.4 110.924 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -134.12 149.4 51.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 70.15 110.905 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 m -70.2 110.88 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 65.15 110.848 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -89.94 167.49 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 75.53 110.911 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 74.12 110.977 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.798 0.332 . . . . 64.32 111.061 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -97.25 167.31 11.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 53.42 110.93 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -97.92 156.34 16.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 72.1 110.939 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.5 p -173.67 150.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.875 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -99.64 160.59 26.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.734 0.778 . . . . 64.52 110.798 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -25.72 27.95 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.652 2.234 . . . . 74.03 112.332 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -81.03 -37.96 28.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 72.32 110.956 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.2 75.17 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.923 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -97.09 109.23 22.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 62.32 110.844 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.63 55.46 0.75 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.881 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 156.0 17.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.04 110.842 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -53.18 160.67 1.56 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.676 0.751 . . . . 73.24 110.877 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 175.33 8.23 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.633 2.222 . . . . 72.13 112.379 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 63.35 26.32 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 70.15 110.838 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -134.55 -178.66 5.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 62.51 110.938 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -150.17 107.97 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 73.1 110.91 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 t -56.54 128.77 37.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.914 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.8 t -103.09 112.91 25.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 34.44 110.871 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -70.19 -13.78 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 74.32 110.878 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -66.43 -59.14 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 73.31 110.895 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.79 11.68 29.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 74.32 110.835 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.6 mt 51.47 40.5 26.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 71.4 110.919 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -134.07 153.58 51.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.455 . . . . 70.15 110.899 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.5 m -71.2 114.92 9.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 65.15 110.888 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -95.16 166.86 11.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 75.53 110.933 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.905 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.712 0.291 . . . . 64.32 111.057 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -101.7 156.14 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 53.42 110.88 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.82 157.58 20.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 72.1 110.815 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -173.6 152.81 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 75.14 110.833 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -108.44 160.41 27.22 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.629 0.728 . . . . 64.52 110.861 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -21.52 33.34 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 2.236 . . . . 74.03 112.373 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -79.3 -38.09 36.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.867 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -129.64 77.11 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.864 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -88.46 106.96 18.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 62.32 110.911 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.75 58.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.877 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.3 m -112.07 156.02 22.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 75.04 110.855 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.75 160.85 0.99 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.686 0.755 . . . . 73.24 110.91 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 179.54 3.6 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.759 2.306 . . . . 72.13 112.353 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 m120 59.51 25.22 14.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 70.15 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -132.8 -177.36 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 62.51 110.919 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -154.47 107.95 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.1 110.854 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 t -56.03 133.26 51.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.945 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.6 t -106.68 111.67 24.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 34.44 110.843 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 m -70.09 -13.95 62.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.845 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -66.56 -59.1 3.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.89 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.23 11.57 31.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.855 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.8 mt 51.5 40.9 27.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 71.4 110.926 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.05 152.0 51.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 70.15 110.883 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.4 m -69.7 108.89 4.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 65.15 110.866 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -90.01 174.56 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 75.53 110.897 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.9 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 121.042 0.448 . . . . 74.12 110.859 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.848 0.356 . . . . 64.32 111.117 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -106.54 165.42 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 53.42 110.88 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -90.64 159.91 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 72.1 110.922 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.3 p -174.11 178.99 1.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 75.14 110.88 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -132.94 160.55 68.19 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.681 0.753 . . . . 64.52 110.852 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -19.04 36.31 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.677 2.251 . . . . 74.03 112.398 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -94.85 -33.86 12.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 72.32 110.96 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -126.73 64.6 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 75.12 110.859 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -86.9 107.17 18.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 62.32 110.815 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.56 56.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 75.45 110.904 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.63 156.0 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 75.04 110.9 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.03 160.64 1.13 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.686 0.755 . . . . 73.24 110.863 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.72 177.59 5.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 72.13 112.356 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 63.25 29.1 15.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 70.15 110.811 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -142.14 173.0 11.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 62.51 110.871 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.39 117.48 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 73.1 110.856 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.9 t -63.7 119.3 9.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.501 . . . . 75.22 110.878 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.7 t -89.62 113.56 25.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 34.44 110.884 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -70.06 -13.09 62.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 74.32 110.88 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -67.25 -59.11 3.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 73.31 110.892 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.21 12.4 28.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 74.32 110.953 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.2 mt 51.42 39.75 25.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 71.4 110.893 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.05 150.24 51.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 70.15 110.894 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 m -69.99 111.4 5.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 65.15 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -89.95 177.26 6.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.926 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 74.12 110.939 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.788 0.328 . . . . 64.32 111.121 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -111.85 168.91 9.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 53.42 110.812 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -97.62 160.14 14.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.1 110.874 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -173.53 175.46 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.914 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -130.16 160.47 65.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.642 0.734 . . . . 64.52 110.869 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -18.72 36.93 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.688 2.259 . . . . 74.03 112.387 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -88.97 -38.06 14.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.87 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -128.43 71.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.879 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.08 107.02 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 62.32 110.8 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.89 59.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 75.45 110.902 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 m -112.02 156.14 22.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 75.04 110.87 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -51.67 161.06 0.92 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 73.24 110.853 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 178.19 4.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 72.13 112.302 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m120 59.98 23.47 12.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 70.15 110.814 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -130.55 -176.95 4.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 62.51 110.919 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -153.48 114.09 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 73.1 110.82 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.72 132.34 53.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 75.22 110.909 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.6 t -105.15 112.14 25.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 34.44 110.877 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -70.2 -13.21 62.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 74.32 110.869 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -67.03 -59.18 3.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.867 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.77 11.88 29.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.874 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.9 mt 51.5 40.55 27.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.847 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -133.99 152.43 51.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 70.15 110.884 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.8 m -73.16 112.84 9.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 65.15 110.87 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -90.03 178.1 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.53 110.913 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.6 p90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.959 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.732 0.301 . . . . 64.32 111.108 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.7 m -104.14 162.76 12.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 53.42 110.844 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.02 154.84 19.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 72.1 110.853 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -169.41 175.08 5.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 75.14 110.919 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.56 160.27 65.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.672 0.748 . . . . 64.52 110.893 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -25.27 28.93 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 2.256 . . . . 74.03 112.4 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -84.46 -37.24 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 72.32 110.884 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -128.48 71.79 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 75.12 110.94 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -95.99 115.11 26.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 62.32 110.84 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -124.86 58.05 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 75.45 110.857 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.2 m -110.73 155.71 22.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 75.04 110.929 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.33 160.61 1.23 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.656 0.741 . . . . 73.24 110.808 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 178.71 4.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.706 2.271 . . . . 72.13 112.384 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 63.04 26.94 15.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 70.15 110.888 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -136.44 179.44 6.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 62.51 110.884 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -147.65 108.12 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 73.1 110.849 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -59.85 108.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 75.22 110.951 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.5 t -81.13 113.67 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 34.44 110.824 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -70.17 -17.51 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 74.32 110.874 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -59.13 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 73.31 110.89 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.26 9.95 35.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.848 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.6 mt 51.57 40.58 27.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 71.4 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.09 150.39 51.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 70.15 110.948 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.8 m -69.55 110.57 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 65.15 110.931 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -90.03 177.97 6.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.9 p90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 74.12 110.953 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.853 0.358 . . . . 44.14 110.86 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -119.02 91.81 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 63.53 110.911 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -98.83 99.3 10.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.839 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.5 p -69.94 156.51 39.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.874 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -80.37 179.95 7.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.35 110.913 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.34 -170.05 23.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 64.11 112.489 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.4 p90 -79.07 -33.44 44.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.315 . . . . 63.31 110.888 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.08 39.53 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 64.32 111.087 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m -118.06 168.99 10.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 53.42 110.837 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -99.95 145.18 28.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 72.1 110.909 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -162.8 165.21 25.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.94 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 p -120.57 160.44 44.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 64.52 110.898 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -22.1 32.81 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.678 2.252 . . . . 74.03 112.377 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -79.18 -37.85 37.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.887 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -135.17 79.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.881 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -93.8 107.12 19.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 62.32 110.869 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.7 60.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 75.45 110.926 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.6 m -112.03 156.01 22.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 75.04 110.893 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.86 160.75 1.05 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.719 . . . . 73.24 110.892 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 175.01 8.75 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.253 . . . . 72.13 112.318 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 63.28 25.87 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 70.15 110.873 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -131.6 -178.09 4.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 62.51 110.922 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -152.53 108.02 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 73.1 110.853 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 t -58.94 126.13 26.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.904 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.2 t -98.33 111.7 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 34.44 110.839 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 m -70.11 -14.13 62.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.853 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -66.19 -59.13 4.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.474 . . . . 73.31 110.909 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.46 11.58 30.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.857 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.3 mt 51.65 41.68 29.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 71.4 110.874 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 -134.04 149.54 51.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 70.15 110.882 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.2 m -70.35 110.91 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 65.15 110.883 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -90.0 177.03 6.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 75.53 110.91 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -88.65 131.64 34.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 74.12 110.92 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.92 -25.82 40.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.919 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.3 mt -99.8 132.47 45.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.128 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.8 t90 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.958 179.891 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.873 0.368 . . . . 44.14 110.909 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -174.17 161.58 3.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 63.53 110.874 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -101.39 98.55 8.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.823 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.2 p -69.11 168.39 14.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 75.11 110.809 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.49 179.87 5.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 74.35 110.931 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.89 -175.61 22.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.676 -0.773 . . . . 64.11 112.501 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.1 p90 -73.06 -30.46 63.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.743 0.306 . . . . 63.31 110.876 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.32 25.01 4.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.317 -0.401 . . . . 64.32 111.054 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -106.36 165.94 10.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 53.42 110.867 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.09 160.45 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 72.1 110.837 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -174.25 164.39 3.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.855 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -120.94 160.56 44.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.739 0.781 . . . . 64.52 110.861 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -25.98 28.23 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.647 2.231 . . . . 74.03 112.321 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -78.99 -37.9 38.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 72.32 110.92 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -132.4 77.17 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.922 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -92.55 106.97 18.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 62.32 110.838 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.82 55.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.859 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.4 m -104.2 156.03 18.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 75.04 110.88 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 m -51.95 160.69 1.09 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.641 0.734 . . . . 73.24 110.859 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 174.49 9.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 72.13 112.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 62.51 26.01 15.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 70.15 110.984 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -133.39 -177.04 4.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 62.51 110.948 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -151.59 108.04 3.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.886 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.5 t -58.37 122.34 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 75.22 110.844 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 t -94.93 111.81 23.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 34.44 110.841 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -70.19 -15.85 62.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.843 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -64.63 -59.11 4.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.929 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.64 11.03 32.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.895 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.6 mt 51.76 41.06 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 71.4 110.891 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.01 149.34 51.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.44 . . . . 70.15 110.962 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.4 m -69.39 111.07 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 65.15 110.923 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -90.17 169.86 10.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 75.53 110.918 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -85.01 142.54 29.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 74.12 110.967 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 -25.78 38.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 74.42 110.933 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 pt -73.65 164.62 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 74.33 111.154 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 13.7 m0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.474 . . . . 73.23 110.93 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.829 0.347 . . . . 44.14 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -148.31 157.24 43.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 63.53 110.929 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -105.36 102.37 11.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 74.34 110.859 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.3 p -120.24 167.85 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 75.11 110.915 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.4 mt -84.54 179.96 7.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 74.35 110.893 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.52 -173.07 24.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 64.11 112.48 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 42.3 p90 -78.24 -30.65 48.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 63.31 110.934 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.3 24.87 4.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 64.32 111.041 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -103.84 165.93 10.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 53.42 110.831 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -96.27 158.68 15.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 72.1 110.876 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -173.99 161.65 3.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 75.14 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -116.77 160.55 36.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 64.52 110.865 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -22.92 31.55 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.695 2.263 . . . . 74.03 112.339 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -78.64 -38.0 40.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.872 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -133.24 78.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 75.12 110.85 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -92.34 107.06 18.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 62.32 110.863 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 60.76 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 75.45 110.937 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.9 m -112.01 156.03 22.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.889 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 m -51.92 160.64 1.09 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.568 0.699 . . . . 73.24 110.922 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 175.12 8.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.224 . . . . 72.13 112.403 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 63.23 26.29 15.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 70.15 110.858 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -132.91 -178.74 5.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 62.51 110.868 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -151.65 107.96 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 73.1 110.904 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 t -57.99 128.92 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.965 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 t -101.93 111.42 23.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 34.44 110.838 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -70.12 -15.01 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.849 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -65.41 -59.11 4.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.945 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.03 11.49 31.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.943 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.8 mt 51.51 41.2 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.971 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.05 150.27 51.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 70.15 110.912 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.3 m -70.32 110.36 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 65.15 110.899 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -90.02 175.37 7.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.879 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -83.43 134.21 34.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.78 -25.77 63.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.831 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.6 mt -88.19 145.64 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.115 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.5 m95 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.87 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.864 0.364 . . . . 44.14 110.833 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -84.3 123.64 30.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 63.53 110.869 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.36 91.59 8.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.874 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 p -136.43 168.72 18.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.411 . . . . 75.11 110.939 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.79 179.83 7.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.35 110.985 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.08 -172.41 24.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 64.11 112.544 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -81.44 -33.93 31.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.769 0.319 . . . . 63.31 110.909 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.83 40.35 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 64.32 111.136 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -116.35 168.98 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 53.42 110.776 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -99.83 131.25 45.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 72.1 110.908 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.04 178.37 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.857 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -133.33 160.51 68.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.67 0.748 . . . . 64.52 110.771 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -17.26 37.41 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.683 2.256 . . . . 74.03 112.362 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -94.33 -35.81 12.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.862 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -120.67 63.07 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 75.12 110.879 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -83.08 107.06 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 62.32 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.2 55.15 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 75.45 110.894 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.6 m -111.55 156.02 22.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 75.04 110.918 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.07 160.68 1.13 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.685 0.755 . . . . 73.24 110.829 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.36 4.67 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.683 2.255 . . . . 72.13 112.358 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m120 63.2 26.18 15.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 70.15 110.897 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -135.2 -177.67 4.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 62.51 110.94 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -152.36 107.98 3.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.1 110.971 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 t -57.47 119.47 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 75.22 110.885 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.2 t -91.96 111.88 23.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 34.44 110.869 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -70.04 -15.35 62.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.906 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? -65.15 -59.18 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 73.31 110.932 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.56 11.19 32.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.866 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.8 mt 51.73 40.89 28.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 71.4 110.931 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.01 149.28 51.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 70.15 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.5 m -68.33 109.67 3.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 65.15 110.837 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -89.98 170.45 10.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 75.53 110.89 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 142.34 35.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 74.12 110.944 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -78.79 -25.68 44.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 74.42 110.921 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.5 mt -89.42 140.08 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.091 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 46.9 t90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.897 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.827 0.346 . . . . 44.14 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -128.02 142.5 51.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 63.53 110.899 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -72.96 90.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.852 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.0 p -128.69 151.25 49.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 75.11 110.919 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.609 HD22 ' OG ' ' A' ' 9' ' ' SER . 13.2 mt -69.11 179.27 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.876 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.83 -170.51 24.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 64.11 112.451 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.8 p90 -81.64 -33.71 31.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.751 0.31 . . . . 63.31 110.882 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.36 38.48 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.419 . . . . 64.32 111.076 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.609 ' OG ' HD22 ' A' ' 5' ' ' LEU . 1.3 t -116.78 168.99 9.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 53.42 110.819 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -98.15 148.35 23.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 72.1 110.889 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -164.13 179.03 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.895 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -134.52 160.52 68.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 64.52 110.88 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -25.33 28.27 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.67 2.247 . . . . 74.03 112.284 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -78.89 -37.98 38.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 72.32 110.823 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -134.08 78.42 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.4 . . . . 75.12 110.955 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -96.37 106.98 19.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 62.32 110.83 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.515 ' HG2' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -116.26 60.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.861 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 m -112.04 156.05 22.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 75.04 110.898 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.94 160.82 1.05 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 73.24 110.885 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 176.99 6.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 72.13 112.365 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.16 25.77 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 70.15 110.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -133.29 -177.62 4.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 62.51 110.892 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -152.84 107.97 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 73.1 110.909 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.2 t -58.38 114.15 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 75.22 110.898 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.1 t -85.49 112.21 20.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 34.44 110.844 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 m -70.17 -15.99 63.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.862 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.54 -59.22 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 73.31 110.938 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.3 11.01 33.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.87 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 mt 51.61 40.91 28.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 71.4 110.918 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.03 148.85 51.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 70.15 110.924 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.6 m -68.62 111.43 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 65.15 110.871 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -89.95 179.25 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.922 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -89.08 141.26 28.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.043 0.449 . . . . 74.12 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -90.2 -25.72 20.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 74.42 110.951 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 mm -122.45 137.53 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 74.33 111.064 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 28.2 p90 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.111 -0.495 . . . . 73.23 110.955 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.881 0.372 . . . . 44.14 110.828 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -91.71 100.96 13.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 63.53 110.933 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -94.5 95.05 8.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.902 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.5 p -120.77 161.38 21.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 75.11 110.857 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 17' ' ' LYS . 15.3 mt -75.36 172.6 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 74.35 110.989 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.31 173.09 31.07 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.817 -0.706 . . . . 64.11 112.497 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.7 p90 -74.2 -29.96 61.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.822 0.344 . . . . 63.31 110.954 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.19 24.91 4.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 64.32 111.11 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 m -98.25 169.02 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 53.42 110.835 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -102.05 129.83 48.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 72.1 110.893 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -143.33 178.92 7.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 75.14 110.887 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m -131.33 160.48 66.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.665 0.745 . . . . 64.52 110.91 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -16.71 37.38 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.647 2.232 . . . . 74.03 112.337 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -94.99 -32.02 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.886 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -134.31 69.33 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 75.12 110.853 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.85 111.61 23.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 62.32 110.815 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.404 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -120.65 59.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 75.45 110.892 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -112.03 155.95 22.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 75.04 110.857 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.88 160.61 1.09 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 73.24 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 179.38 3.72 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.685 2.257 . . . . 72.13 112.384 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 63.22 26.22 15.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 70.15 110.891 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -135.21 177.99 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 62.51 110.893 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -145.23 107.98 4.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 73.1 110.875 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -58.04 101.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.826 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.7 t -74.13 112.68 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 34.44 110.869 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -16.56 63.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 74.32 110.854 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -59.15 4.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 73.31 110.868 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.63 10.34 34.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 74.32 110.873 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.9 mt 51.63 40.97 28.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 71.4 110.888 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.11 149.85 51.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.263 -0.426 . . . . 70.15 110.926 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 m -68.8 110.07 4.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 65.15 110.884 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -90.16 170.56 10.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.898 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -81.45 133.87 35.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.878 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -85.15 -25.85 27.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.055 -0.521 . . . . 74.42 110.832 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.8 mt -51.77 144.51 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 74.33 111.094 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 7.7 m0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.934 179.85 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.3 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.801 0.334 . . . . 44.14 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -118.14 130.07 55.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 63.53 110.933 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -82.18 93.67 7.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.853 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.7 p -55.97 153.85 8.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 75.11 110.841 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.555 HD12 ' HG2' ' A' ' 17' ' ' LYS . 12.2 mt -66.72 178.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.88 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.56 -177.11 27.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.742 . . . . 64.11 112.448 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.7 p-90 -78.08 -32.88 50.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 63.31 110.911 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.45 33.27 1.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 64.32 111.095 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -108.43 169.05 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 53.42 110.871 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 mmt-85 -98.38 140.82 32.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 72.1 110.851 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -155.83 173.28 16.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.851 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -127.21 160.45 59.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 64.52 110.892 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -19.34 36.0 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.728 2.285 . . . . 74.03 112.292 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -89.93 -34.57 15.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.834 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -130.43 70.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.874 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -92.2 106.98 18.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 62.32 110.837 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.555 ' HG2' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -120.67 58.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 75.45 110.834 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 m -112.1 156.04 22.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 75.04 110.819 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 m -51.93 160.65 1.09 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 73.24 110.875 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 179.51 3.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.223 . . . . 72.13 112.328 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 63.23 25.87 14.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 70.15 110.8 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -136.1 -179.61 5.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 62.51 110.933 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -150.22 107.94 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 73.1 110.946 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.9 t -55.44 118.13 4.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 75.22 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.4 t -90.82 112.05 23.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 34.44 110.9 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -70.15 -15.02 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.806 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.45 -59.19 4.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.885 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.94 11.58 31.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 74.32 110.871 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.2 mt 51.49 40.76 27.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 71.4 110.929 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -133.99 149.48 51.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 70.15 110.951 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.0 m -66.83 111.44 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 65.15 110.878 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -94.32 176.19 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 75.53 110.824 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -82.5 147.98 28.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.879 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -77.47 -25.78 50.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 74.42 110.922 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.4 mt -98.63 140.55 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 74.33 111.13 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.982 179.863 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 65.0 p . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.817 0.341 . . . . 44.14 110.82 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -97.52 96.06 8.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 63.53 110.897 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -101.18 94.15 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 74.34 110.892 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.7 p -127.58 165.21 20.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 75.11 110.916 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 mt -85.97 174.62 9.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.858 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.06 -172.52 30.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 64.11 112.487 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -74.59 -33.67 62.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.778 0.323 . . . . 63.31 110.943 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.78 37.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 64.32 111.136 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -114.8 164.25 14.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 53.42 110.884 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -97.5 137.16 36.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 72.1 110.889 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.5 p -155.5 159.02 39.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.87 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m -110.65 160.62 27.96 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.738 . . . . 64.52 110.868 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -25.92 27.87 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.664 2.243 . . . . 74.03 112.321 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -79.34 -38.0 36.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.913 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -129.5 75.54 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 75.12 110.939 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -92.01 106.99 18.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 62.32 110.93 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.82 56.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 75.45 110.947 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 79.9 m -106.06 156.06 18.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.939 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 m -51.9 160.71 1.07 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 73.24 110.857 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 174.46 9.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 72.13 112.303 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.7 m120 63.19 25.61 14.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 70.15 110.945 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -132.37 -177.65 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 62.51 110.97 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -153.04 108.01 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 73.1 110.895 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 t -57.29 133.68 55.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.883 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.0 t -106.98 111.54 24.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 34.44 110.866 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -14.36 62.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 74.32 110.816 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.05 -59.04 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.938 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.3 11.62 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.872 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.9 mt 51.41 41.05 27.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.897 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.02 151.6 51.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 70.15 110.899 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.5 m -70.8 110.27 5.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 65.15 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -89.92 166.66 13.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 75.53 110.894 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -74.07 146.43 43.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.946 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.55 -25.65 22.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 74.42 110.891 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.4 mt -122.47 142.87 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.33 111.093 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 26.7 t90 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 73.23 110.956 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.84 0.352 . . . . 44.14 110.838 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -91.57 146.16 24.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 63.53 110.834 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -95.15 97.34 9.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 74.34 110.848 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.8 p -70.47 168.99 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.932 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.445 HD12 ' SG ' ' A' ' 18' ' ' CYS . 66.8 mt -80.19 179.91 7.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 74.35 110.984 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.79 162.8 14.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.705 -0.759 . . . . 64.11 112.448 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.1 p-90 -52.03 -33.81 40.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.788 0.328 . . . . 63.31 110.935 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.81 47.8 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 64.32 111.108 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.8 m -115.79 169.0 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 53.42 110.869 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -94.04 147.35 23.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 72.1 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -164.93 160.84 19.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.912 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -119.42 160.51 41.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 64.52 110.824 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -16.91 38.03 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.638 2.225 . . . . 74.03 112.376 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -90.89 -36.82 13.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.91 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -129.74 70.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.852 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.47 109.95 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 62.32 110.862 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.62 57.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 75.45 110.848 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.445 ' SG ' HD12 ' A' ' 5' ' ' LEU . 38.6 m -107.35 156.05 19.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.891 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.89 160.85 1.03 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.604 0.716 . . . . 73.24 110.857 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 174.87 8.93 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.667 2.245 . . . . 72.13 112.326 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.8 m120 63.31 25.99 14.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 70.15 110.882 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -132.46 -177.63 4.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 62.51 110.893 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -151.65 108.09 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 73.1 110.857 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.7 t -56.55 129.21 39.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.862 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.3 t -102.55 111.74 24.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 34.44 110.847 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -15.08 62.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.845 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -65.37 -59.14 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 73.31 110.907 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.81 11.38 32.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.891 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.6 mt 51.56 40.59 27.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 71.4 110.891 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -134.02 151.09 51.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 70.15 110.907 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.0 m -69.0 109.53 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 65.15 110.874 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -90.01 179.63 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.866 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -81.06 148.08 29.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.964 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -88.08 -25.82 22.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 74.42 110.868 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.6 mt -101.8 134.4 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 74.33 111.153 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.938 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.811 0.339 . . . . 44.14 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -105.03 124.17 49.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 63.53 110.904 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -85.94 94.53 9.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.877 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.0 p -132.37 154.18 50.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.91 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' A' ' 9' ' ' SER . 9.8 mt -60.14 178.14 0.21 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.176 -0.465 . . . . 74.35 110.907 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.53 -173.84 23.12 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 64.11 112.488 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 37.5 p90 -76.75 -32.85 58.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.753 0.311 . . . . 63.31 110.918 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.55 29.18 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 64.32 111.149 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.79 ' HB3' HD22 ' A' ' 5' ' ' LEU . 66.3 m -106.55 158.13 17.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 53.42 110.921 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.03 157.35 19.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 72.1 110.843 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -172.45 169.47 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 75.14 110.886 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -121.64 160.46 46.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.67 0.748 . . . . 64.52 110.864 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -23.78 30.44 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 74.03 112.387 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -87.37 -34.98 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 72.32 110.887 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -129.19 70.08 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 75.12 110.938 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -95.72 108.45 20.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 62.32 110.84 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.01 58.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.45 110.895 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 m -109.88 156.01 20.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 75.04 110.886 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -51.97 160.65 1.1 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.669 0.747 . . . . 73.24 110.826 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 178.81 4.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.275 . . . . 72.13 112.287 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 63.31 26.59 15.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 70.15 110.922 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -136.98 178.9 6.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 62.51 110.954 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -147.77 108.05 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.1 110.901 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -56.43 118.41 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 75.22 110.807 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.0 t -92.09 111.73 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 34.44 110.866 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -70.03 -16.27 63.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 74.32 110.893 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -64.5 -59.03 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 73.31 110.921 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.15 11.11 33.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 74.32 110.901 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.0 mt 51.54 40.26 26.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 71.4 110.892 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.06 150.56 51.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 70.15 110.923 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 m -68.63 112.64 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 65.15 110.857 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -94.32 177.44 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.943 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -85.83 147.81 26.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.883 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.69 -25.79 49.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.911 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.2 mm -96.52 133.61 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.33 111.166 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 73.1 m95 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 73.23 110.907 179.917 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.843 0.354 . . . . 44.14 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -94.56 87.88 5.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 63.53 110.872 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.51 92.52 4.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 74.34 110.839 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.6 p -71.27 162.48 29.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 75.11 110.893 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.1 mt -84.4 179.36 7.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 74.35 110.937 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.51 -177.38 27.29 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.674 -0.774 . . . . 64.11 112.488 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -78.39 -33.86 48.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.814 0.34 . . . . 63.31 110.902 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.81 36.39 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 64.32 111.193 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -114.48 169.05 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 53.42 110.848 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.14 154.19 18.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 72.1 110.813 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -167.95 175.18 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.902 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -133.58 160.45 68.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.685 0.755 . . . . 64.52 110.85 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -22.65 31.9 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.728 2.286 . . . . 74.03 112.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -89.88 -31.9 17.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.871 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -130.53 68.8 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.904 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -94.21 107.15 19.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 62.32 110.89 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.94 57.86 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.45 110.871 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.5 m -109.45 156.04 20.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.835 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 m -51.89 160.72 1.06 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.69 0.757 . . . . 73.24 110.861 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 177.56 5.43 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.78 2.32 . . . . 72.13 112.364 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 63.34 25.99 14.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 70.15 110.865 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -133.73 -178.11 4.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 62.51 110.966 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -151.42 107.99 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 73.1 110.835 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -59.55 119.08 6.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 75.22 110.875 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.4 t -91.27 112.87 24.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 34.44 110.881 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -70.09 -15.89 63.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.087 -0.506 . . . . 74.32 110.889 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -64.8 -59.07 4.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 73.31 110.896 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.2 10.8 33.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 74.32 110.878 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.0 mt 51.45 40.87 27.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 71.4 110.945 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.08 150.31 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 70.15 110.881 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.2 m -69.93 111.29 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 65.15 110.871 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -90.02 173.7 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 75.53 110.921 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -87.27 124.76 33.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.946 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -25.85 61.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.885 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.7 mp -96.23 136.26 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.114 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 84.3 m95 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.47 . . . . 73.23 110.871 179.935 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.78 0.324 . . . . 44.14 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -100.37 119.89 39.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 63.53 110.847 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -108.07 104.43 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 74.34 110.88 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.9 p -99.05 170.29 8.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 75.11 110.876 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.16 173.66 9.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 74.35 110.903 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.0 -176.29 24.53 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 64.11 112.528 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.2 p90 -70.19 -34.3 72.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.756 0.313 . . . . 63.31 110.925 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.52 24.97 4.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 64.32 111.075 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -105.37 144.69 31.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 53.42 110.875 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 -71.87 160.44 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 72.1 110.963 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -174.24 166.29 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 75.14 110.919 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -127.56 160.43 60.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 64.52 110.809 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 -25.44 29.11 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.695 2.263 . . . . 74.03 112.339 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -79.71 -37.96 34.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 72.32 110.866 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -133.06 77.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 75.12 110.91 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -91.82 107.1 18.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 62.32 110.855 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 55.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 75.45 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.5 m -106.04 156.09 18.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 75.04 110.875 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -51.76 160.88 0.98 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.665 0.745 . . . . 73.24 110.894 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 177.75 5.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 72.13 112.357 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 58.41 25.28 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 70.15 110.849 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -129.33 -176.97 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 62.51 110.933 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.32 107.96 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 73.1 110.825 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.21 123.69 17.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 75.22 110.872 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 t -96.24 111.72 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 34.44 110.862 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.13 -15.58 62.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 74.32 110.852 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -64.93 -59.13 4.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.936 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.56 11.17 32.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.896 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.0 mt 51.6 41.17 28.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.4 110.915 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.11 149.69 51.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 70.15 110.936 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 m -71.01 111.97 6.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 65.15 110.927 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -89.96 169.65 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 75.53 110.881 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -85.79 124.64 32.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.89 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -79.28 -25.88 42.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 74.42 110.899 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.6 mm -75.13 134.64 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.144 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.85 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.777 0.322 . . . . 44.14 110.916 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 53.43 44.38 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 63.53 110.904 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -89.67 95.49 10.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 74.34 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.2 p -125.66 161.29 27.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 75.11 110.893 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.7 mt -85.63 171.93 11.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 74.35 110.894 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.11 166.52 29.8 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.715 -0.755 . . . . 64.11 112.485 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -61.16 -33.15 72.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 63.31 110.899 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.62 28.38 3.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 64.32 111.057 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.5 m -105.82 168.81 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 53.42 110.871 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.27 155.96 17.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.114 -0.494 . . . . 72.1 110.906 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -169.68 162.43 9.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 75.14 110.889 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 p -123.22 160.44 50.04 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.673 0.749 . . . . 64.52 110.899 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.72 -25.1 29.12 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.714 2.276 . . . . 74.03 112.328 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -77.99 -37.92 46.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 72.32 110.858 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -134.43 78.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 75.12 110.919 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.85 107.36 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 62.32 110.82 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.98 55.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.45 110.88 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.5 m -105.23 156.0 18.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 75.04 110.869 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -51.71 160.88 0.97 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 73.24 110.841 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 177.56 5.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 72.13 112.316 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 59.11 25.45 13.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 70.15 110.915 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -130.78 -176.6 4.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 62.51 110.964 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -152.35 108.02 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.1 110.937 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 t -57.75 128.76 38.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 75.22 110.856 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.1 t -102.56 111.58 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 34.44 110.847 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -70.05 -16.08 63.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 74.32 110.862 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mppp? -64.6 -59.09 4.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.3 11.16 33.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 74.32 110.917 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.0 mt 51.49 40.22 26.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 71.4 110.928 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.07 151.69 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 70.15 110.838 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.2 m -70.72 110.8 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 65.15 110.848 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -90.06 169.73 10.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 75.53 110.884 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -80.59 142.83 33.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 74.12 110.885 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -90.51 -25.55 20.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 74.42 110.864 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.6 mt -54.72 140.37 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 74.33 111.099 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.0 p90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 73.23 110.887 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.853 0.358 . . . . 44.14 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -57.83 132.55 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 63.53 110.808 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -107.99 104.52 13.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 74.34 110.851 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.4 p -149.72 173.25 13.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 75.11 110.915 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mt -92.69 148.84 21.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 74.35 110.908 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.57 169.46 53.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.686 -0.768 . . . . 64.11 112.481 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 30.6 p90 -66.32 -32.71 74.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.816 0.341 . . . . 63.31 110.923 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.27 25.36 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 64.32 111.098 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -103.71 167.64 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 53.42 110.839 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.52 161.75 14.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 72.1 110.928 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -174.27 173.35 3.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.14 110.879 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -128.24 160.51 61.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.652 0.739 . . . . 64.52 110.833 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -23.05 30.97 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.7 2.267 . . . . 74.03 112.363 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -90.62 -37.86 13.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.918 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -121.77 64.81 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.809 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -86.51 109.72 19.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 62.32 110.896 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 56.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.45 110.866 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 m -108.78 156.0 20.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 75.04 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 m -51.76 160.8 1.0 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.642 0.734 . . . . 73.24 110.843 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 174.88 8.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.237 . . . . 72.13 112.353 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 63.41 25.59 14.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 70.15 110.881 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -131.73 -176.38 4.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 62.51 110.885 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -151.68 107.93 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 73.1 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.2 t -58.67 120.66 9.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 75.22 110.885 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.5 t -93.55 111.81 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 34.44 110.803 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -70.17 -16.98 63.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.91 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -59.13 4.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.859 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.73 10.78 34.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.848 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.3 mt 51.64 40.27 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.941 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.07 150.03 51.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 70.15 110.907 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.1 m -69.58 111.34 5.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 65.15 110.872 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -89.97 169.29 11.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 75.53 110.891 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -86.76 141.82 28.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.935 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -25.88 38.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 74.42 110.885 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.3 mt -73.23 142.75 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 74.33 111.175 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 25.5 p90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 73.23 110.903 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.7 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.781 0.324 . . . . 44.14 110.792 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.96 30.37 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 63.53 110.844 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -106.18 99.78 9.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 74.34 110.913 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.4 p -140.2 152.65 46.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.879 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.9 mt -67.59 176.98 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 74.35 110.952 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -109.36 -172.98 20.88 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.782 -0.723 . . . . 64.11 112.511 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.1 p90 -71.84 -32.66 67.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 63.31 110.919 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.34 38.9 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 64.32 111.067 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -117.0 168.72 9.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 53.42 110.871 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -96.46 155.18 16.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.875 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.8 p -171.2 165.3 7.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.14 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -121.62 160.54 45.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.69 0.757 . . . . 64.52 110.868 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -25.06 29.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 74.03 112.374 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 pttt -83.47 -36.39 24.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.904 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -129.16 72.22 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.884 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.44 107.72 19.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 62.32 110.843 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.32 57.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 75.45 110.923 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -107.83 155.99 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.04 110.887 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -51.98 160.63 1.11 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 73.24 110.927 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 174.43 9.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.645 2.23 . . . . 72.13 112.362 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 62.6 26.12 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 70.15 110.904 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -132.6 -176.92 4.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 62.51 110.925 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -151.44 108.05 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 73.1 110.841 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.9 t -59.1 123.57 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.847 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.3 t -96.04 111.82 23.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 34.44 110.876 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -70.1 -14.87 62.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 74.32 110.88 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -65.38 -59.17 4.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 73.31 110.92 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.14 11.39 31.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.884 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.1 mt 51.58 41.64 28.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.4 110.924 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -134.12 149.4 51.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 70.15 110.905 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 m -70.2 110.88 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 65.15 110.848 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -89.94 167.49 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 75.53 110.911 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -82.27 125.19 30.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 74.12 110.977 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.7 ttpp -65.61 -26.98 68.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.881 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.3 pt -67.43 165.06 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 74.33 111.145 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 73.23 110.934 179.859 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.6 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.89 0.376 . . . . 44.14 110.839 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -97.48 130.78 44.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 63.53 110.885 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.21 93.62 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.833 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.6 p -146.7 -179.03 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.926 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.2 mt -88.07 160.55 17.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 74.35 110.864 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.94 173.52 50.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 64.11 112.427 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.9 p90 -66.13 -33.65 76.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 63.31 110.935 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.3 25.02 4.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 64.32 111.061 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -97.25 167.31 11.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 53.42 110.93 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -97.92 156.34 16.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 72.1 110.939 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.5 p -173.67 150.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.875 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -99.64 160.59 26.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.734 0.778 . . . . 64.52 110.798 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -25.72 27.95 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.652 2.234 . . . . 74.03 112.332 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -81.03 -37.96 28.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 72.32 110.956 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.2 75.17 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.923 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -97.09 109.23 22.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 62.32 110.844 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.63 55.46 0.75 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.881 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 156.0 17.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.04 110.842 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -53.18 160.67 1.56 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.676 0.751 . . . . 73.24 110.877 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 175.33 8.23 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.633 2.222 . . . . 72.13 112.379 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 63.35 26.32 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 70.15 110.838 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -134.55 -178.66 5.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 62.51 110.938 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -150.17 107.97 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 73.1 110.91 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 t -56.54 128.77 37.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.914 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.8 t -103.09 112.91 25.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 34.44 110.871 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -70.19 -13.78 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 74.32 110.878 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -66.43 -59.14 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 73.31 110.895 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.79 11.68 29.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 74.32 110.835 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.6 mt 51.47 40.5 26.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 71.4 110.919 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -134.07 153.58 51.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.455 . . . . 70.15 110.899 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.5 m -71.2 114.92 9.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 65.15 110.888 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -95.16 166.86 11.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 75.53 110.933 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -81.25 138.92 35.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.905 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -73.51 -25.89 60.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 74.42 110.887 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.3 mm -97.55 149.92 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 74.33 111.157 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 58.3 m95 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.868 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.877 0.37 . . . . 44.14 110.826 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -77.95 167.26 21.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 63.53 110.967 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -108.05 104.42 13.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.858 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.5 p -134.53 169.04 17.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.468 . . . . 75.11 110.943 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.6 mt -85.22 -179.95 7.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.886 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.63 -176.43 29.75 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.727 -0.749 . . . . 64.11 112.473 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.6 p90 -76.63 -33.09 58.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.772 0.32 . . . . 63.31 110.956 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.2 24.84 4.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 64.32 111.057 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -101.7 156.14 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 53.42 110.88 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.82 157.58 20.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 72.1 110.815 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -173.6 152.81 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 75.14 110.833 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -108.44 160.41 27.22 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.629 0.728 . . . . 64.52 110.861 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -21.52 33.34 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 2.236 . . . . 74.03 112.373 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -79.3 -38.09 36.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.867 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -129.64 77.11 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.864 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -88.46 106.96 18.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 62.32 110.911 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.75 58.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.877 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.3 m -112.07 156.02 22.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 75.04 110.855 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.75 160.85 0.99 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.686 0.755 . . . . 73.24 110.91 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 179.54 3.6 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.759 2.306 . . . . 72.13 112.353 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 m120 59.51 25.22 14.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 70.15 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -132.8 -177.36 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 62.51 110.919 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -154.47 107.95 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.1 110.854 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 t -56.03 133.26 51.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.945 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.6 t -106.68 111.67 24.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 34.44 110.843 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 m -70.09 -13.95 62.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.845 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -66.56 -59.1 3.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.89 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.23 11.57 31.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.855 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.8 mt 51.5 40.9 27.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 71.4 110.926 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.05 152.0 51.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 70.15 110.883 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.4 m -69.7 108.89 4.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 65.15 110.866 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -90.01 174.56 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 75.53 110.897 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -80.11 135.71 36.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.042 0.448 . . . . 74.12 110.859 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -63.6 -25.77 68.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 74.42 110.901 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.4 mm -96.78 139.8 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 74.33 111.132 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.2 m95 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.98 179.9 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.811 0.339 . . . . 44.14 110.829 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -128.13 90.05 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 63.53 110.861 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -104.34 101.94 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 74.34 110.888 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.5 p -80.28 155.5 27.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 75.11 110.89 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.7 mt -70.9 179.97 2.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 74.35 110.977 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.33 179.3 26.94 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 64.11 112.476 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -73.09 -33.34 65.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 63.31 110.953 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.51 30.32 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 64.32 111.117 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -106.54 165.42 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 53.42 110.88 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -90.64 159.91 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 72.1 110.922 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.3 p -174.11 178.99 1.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 75.14 110.88 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -132.94 160.55 68.19 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.681 0.753 . . . . 64.52 110.852 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -19.04 36.31 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.677 2.251 . . . . 74.03 112.398 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -94.85 -33.86 12.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 72.32 110.96 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -126.73 64.6 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 75.12 110.859 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -86.9 107.17 18.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 62.32 110.815 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.56 56.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 75.45 110.904 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.63 156.0 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 75.04 110.9 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.03 160.64 1.13 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.686 0.755 . . . . 73.24 110.863 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.72 177.59 5.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 72.13 112.356 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 63.25 29.1 15.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 70.15 110.811 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -142.14 173.0 11.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 62.51 110.871 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.39 117.48 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 73.1 110.856 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.9 t -63.7 119.3 9.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.501 . . . . 75.22 110.878 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.7 t -89.62 113.56 25.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 34.44 110.884 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -70.06 -13.09 62.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 74.32 110.88 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -67.25 -59.11 3.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 73.31 110.892 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.21 12.4 28.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 74.32 110.953 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.2 mt 51.42 39.75 25.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 71.4 110.893 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.05 150.24 51.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 70.15 110.894 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 m -69.99 111.4 5.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 65.15 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -89.95 177.26 6.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.926 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -81.3 131.87 35.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 74.12 110.939 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -60.4 -25.89 66.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.474 . . . . 74.42 110.903 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.0 mm -98.68 131.72 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 74.33 111.183 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.88 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.526 0.03 0 CA-C-O 120.867 0.365 . . . . 44.14 110.932 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -105.51 45.91 0.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.027 -0.533 . . . . 63.53 110.833 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -93.15 97.14 10.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.843 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.9 p -118.24 154.32 32.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.924 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 mt -79.71 171.4 15.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 74.35 110.937 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.87 171.97 33.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 64.11 112.453 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -63.44 -32.51 73.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.807 0.337 . . . . 63.31 110.913 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.52 36.94 1.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 64.32 111.121 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -111.85 168.91 9.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 53.42 110.812 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -97.62 160.14 14.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.1 110.874 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -173.53 175.46 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.914 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -130.16 160.47 65.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.642 0.734 . . . . 64.52 110.869 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -18.72 36.93 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.688 2.259 . . . . 74.03 112.387 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -88.97 -38.06 14.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.87 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -128.43 71.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.879 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.08 107.02 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 62.32 110.8 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.89 59.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 75.45 110.902 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 m -112.02 156.14 22.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 75.04 110.87 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -51.67 161.06 0.92 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 73.24 110.853 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 178.19 4.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 72.13 112.302 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m120 59.98 23.47 12.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 70.15 110.814 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -130.55 -176.95 4.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 62.51 110.919 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -153.48 114.09 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 73.1 110.82 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.72 132.34 53.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 75.22 110.909 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.6 t -105.15 112.14 25.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 34.44 110.877 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -70.2 -13.21 62.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 74.32 110.869 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -67.03 -59.18 3.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.867 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.77 11.88 29.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.874 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.9 mt 51.5 40.55 27.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.847 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -133.99 152.43 51.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 70.15 110.884 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.8 m -73.16 112.84 9.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 65.15 110.87 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -90.03 178.1 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.53 110.913 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -88.18 142.36 27.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.959 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -93.48 -25.76 17.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 74.42 110.863 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.495 ' H ' HD12 ' A' ' 35' ' ' ILE . 4.9 mp -72.29 134.05 30.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 74.33 111.089 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 73.23 110.921 179.895 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.873 0.368 . . . . 44.14 110.835 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.05 128.23 35.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 63.53 110.875 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -79.19 92.92 5.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 74.34 110.883 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.6 p -61.18 167.95 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.11 110.903 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.4 mt -84.12 178.82 7.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.965 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.37 173.58 24.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 64.11 112.497 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.2 p-90 -72.1 -32.11 66.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.746 0.308 . . . . 63.31 110.895 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.48 27.32 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 64.32 111.108 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.7 m -104.14 162.76 12.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 53.42 110.844 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.02 154.84 19.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 72.1 110.853 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -169.41 175.08 5.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 75.14 110.919 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.56 160.27 65.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.672 0.748 . . . . 64.52 110.893 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -25.27 28.93 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 2.256 . . . . 74.03 112.4 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -84.46 -37.24 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 72.32 110.884 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -128.48 71.79 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 75.12 110.94 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -95.99 115.11 26.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 62.32 110.84 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -124.86 58.05 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 75.45 110.857 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.2 m -110.73 155.71 22.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 75.04 110.929 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.33 160.61 1.23 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.656 0.741 . . . . 73.24 110.808 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 178.71 4.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.706 2.271 . . . . 72.13 112.384 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 63.04 26.94 15.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 70.15 110.888 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -136.44 179.44 6.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 62.51 110.884 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -147.65 108.12 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 73.1 110.849 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -59.85 108.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 75.22 110.951 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.5 t -81.13 113.67 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 34.44 110.824 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -70.17 -17.51 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 74.32 110.874 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -59.13 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 73.31 110.89 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.26 9.95 35.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.848 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.6 mt 51.57 40.58 27.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 71.4 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.09 150.39 51.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 70.15 110.948 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.8 m -69.55 110.57 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 65.15 110.931 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -90.03 177.97 6.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -85.35 140.67 30.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 74.12 110.953 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -87.83 -25.8 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.883 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.3 mt -53.66 134.37 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.133 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 4.2 t90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 73.23 110.919 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.774 0.321 . . . . 64.32 111.087 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m -118.06 168.99 10.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 53.42 110.837 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -99.95 145.18 28.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 72.1 110.909 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -162.8 165.21 25.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.94 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 p -120.57 160.44 44.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 64.52 110.898 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -22.1 32.81 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.678 2.252 . . . . 74.03 112.377 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -79.18 -37.85 37.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.887 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -135.17 79.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.881 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -93.8 107.12 19.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 62.32 110.869 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.7 60.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 75.45 110.926 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.6 m -112.03 156.01 22.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 75.04 110.893 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.86 160.75 1.05 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.719 . . . . 73.24 110.892 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 175.01 8.75 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.253 . . . . 72.13 112.318 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 63.28 25.87 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 70.15 110.873 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -131.6 -178.09 4.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 62.51 110.922 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -152.53 108.02 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 73.1 110.853 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 t -58.94 126.13 26.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.904 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.2 t -98.33 111.7 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 34.44 110.839 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 m -70.11 -14.13 62.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.853 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -66.19 -59.13 4.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.474 . . . . 73.31 110.909 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.46 11.58 30.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.857 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.3 mt 51.65 41.68 29.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 71.4 110.874 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 -134.04 149.54 51.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 70.15 110.882 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.2 m -70.35 110.91 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 65.15 110.883 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -90.0 177.03 6.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 75.53 110.91 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 74.12 110.92 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.805 0.336 . . . . 64.32 111.054 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -106.36 165.94 10.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 53.42 110.867 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.09 160.45 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 72.1 110.837 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -174.25 164.39 3.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.855 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -120.94 160.56 44.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.739 0.781 . . . . 64.52 110.861 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -25.98 28.23 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.647 2.231 . . . . 74.03 112.321 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -78.99 -37.9 38.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 72.32 110.92 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -132.4 77.17 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.922 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -92.55 106.97 18.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 62.32 110.838 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.82 55.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.859 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.4 m -104.2 156.03 18.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 75.04 110.88 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 m -51.95 160.69 1.09 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.641 0.734 . . . . 73.24 110.859 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 174.49 9.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 72.13 112.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 62.51 26.01 15.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 70.15 110.984 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -133.39 -177.04 4.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 62.51 110.948 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -151.59 108.04 3.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.886 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.5 t -58.37 122.34 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 75.22 110.844 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 t -94.93 111.81 23.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 34.44 110.841 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -70.19 -15.85 62.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.843 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -64.63 -59.11 4.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.929 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.64 11.03 32.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.895 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.6 mt 51.76 41.06 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 71.4 110.891 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.01 149.34 51.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.44 . . . . 70.15 110.962 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.4 m -69.39 111.07 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 65.15 110.923 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -90.17 169.86 10.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 75.53 110.918 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 74.12 110.967 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.756 0.313 . . . . 64.32 111.041 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -103.84 165.93 10.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 53.42 110.831 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -96.27 158.68 15.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 72.1 110.876 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -173.99 161.65 3.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 75.14 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -116.77 160.55 36.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 64.52 110.865 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -22.92 31.55 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.695 2.263 . . . . 74.03 112.339 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -78.64 -38.0 40.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.872 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -133.24 78.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 75.12 110.85 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -92.34 107.06 18.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 62.32 110.863 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 60.76 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 75.45 110.937 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.9 m -112.01 156.03 22.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.889 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 m -51.92 160.64 1.09 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.568 0.699 . . . . 73.24 110.922 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 175.12 8.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.224 . . . . 72.13 112.403 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 63.23 26.29 15.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 70.15 110.858 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -132.91 -178.74 5.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 62.51 110.868 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -151.65 107.96 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 73.1 110.904 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 t -57.99 128.92 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.965 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 t -101.93 111.42 23.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 34.44 110.838 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -70.12 -15.01 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.849 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -65.41 -59.11 4.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.945 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.03 11.49 31.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.943 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.8 mt 51.51 41.2 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.971 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.05 150.27 51.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 70.15 110.912 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.3 m -70.32 110.36 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 65.15 110.899 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -90.02 175.37 7.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.879 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.015 179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.806 0.336 . . . . 64.32 111.136 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -116.35 168.98 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 53.42 110.776 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -99.83 131.25 45.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 72.1 110.908 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.04 178.37 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.857 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -133.33 160.51 68.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.67 0.748 . . . . 64.52 110.771 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -17.26 37.41 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.683 2.256 . . . . 74.03 112.362 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -94.33 -35.81 12.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.862 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -120.67 63.07 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 75.12 110.879 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -83.08 107.06 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 62.32 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.2 55.15 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 75.45 110.894 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.6 m -111.55 156.02 22.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 75.04 110.918 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.07 160.68 1.13 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.685 0.755 . . . . 73.24 110.829 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.36 4.67 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.683 2.255 . . . . 72.13 112.358 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m120 63.2 26.18 15.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 70.15 110.897 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -135.2 -177.67 4.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 62.51 110.94 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -152.36 107.98 3.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.1 110.971 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 t -57.47 119.47 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 75.22 110.885 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.2 t -91.96 111.88 23.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 34.44 110.869 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -70.04 -15.35 62.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.906 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? -65.15 -59.18 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 73.31 110.932 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.56 11.19 32.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.866 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.8 mt 51.73 40.89 28.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 71.4 110.931 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.01 149.28 51.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 70.15 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.5 m -68.33 109.67 3.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 65.15 110.837 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -89.98 170.45 10.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 75.53 110.89 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 74.12 110.944 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.742 0.306 . . . . 64.32 111.076 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -116.78 168.99 9.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 53.42 110.819 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -98.15 148.35 23.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 72.1 110.889 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -164.13 179.03 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.895 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -134.52 160.52 68.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 64.52 110.88 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -25.33 28.27 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.67 2.247 . . . . 74.03 112.284 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -78.89 -37.98 38.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 72.32 110.823 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -134.08 78.42 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.4 . . . . 75.12 110.955 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -96.37 106.98 19.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 62.32 110.83 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.26 60.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.861 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 m -112.04 156.05 22.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 75.04 110.898 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.94 160.82 1.05 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 73.24 110.885 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 176.99 6.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 72.13 112.365 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.16 25.77 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 70.15 110.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -133.29 -177.62 4.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 62.51 110.892 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -152.84 107.97 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 73.1 110.909 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.2 t -58.38 114.15 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 75.22 110.898 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.1 t -85.49 112.21 20.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 34.44 110.844 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 m -70.17 -15.99 63.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.862 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.54 -59.22 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 73.31 110.938 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.3 11.01 33.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.87 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 mt 51.61 40.91 28.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 71.4 110.918 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.03 148.85 51.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 70.15 110.924 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.6 m -68.62 111.43 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 65.15 110.871 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -89.95 179.25 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.922 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.1 p90 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.043 0.449 . . . . 74.12 110.853 -179.91 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.776 0.322 . . . . 64.32 111.11 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 m -98.25 169.02 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 53.42 110.835 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -102.05 129.83 48.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 72.1 110.893 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -143.33 178.92 7.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 75.14 110.887 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m -131.33 160.48 66.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.665 0.745 . . . . 64.52 110.91 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -16.71 37.38 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.647 2.232 . . . . 74.03 112.337 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -94.99 -32.02 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.886 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -134.31 69.33 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 75.12 110.853 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.85 111.61 23.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 62.32 110.815 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.65 59.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 75.45 110.892 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -112.03 155.95 22.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 75.04 110.857 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.88 160.61 1.09 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 73.24 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 179.38 3.72 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.685 2.257 . . . . 72.13 112.384 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 63.22 26.22 15.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 70.15 110.891 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -135.21 177.99 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 62.51 110.893 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -145.23 107.98 4.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 73.1 110.875 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -58.04 101.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.826 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.7 t -74.13 112.68 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 34.44 110.869 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -16.56 63.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 74.32 110.854 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -59.15 4.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 73.31 110.868 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.63 10.34 34.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 74.32 110.873 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.9 mt 51.63 40.97 28.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 71.4 110.888 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.11 149.85 51.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.263 -0.426 . . . . 70.15 110.926 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 m -68.8 110.07 4.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 65.15 110.884 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -90.16 170.56 10.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.898 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.9 p90 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.878 -179.913 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.819 0.342 . . . . 64.32 111.095 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -108.43 169.05 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 53.42 110.871 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 mmt-85 -98.38 140.82 32.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 72.1 110.851 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -155.83 173.28 16.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.851 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -127.21 160.45 59.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 64.52 110.892 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -19.34 36.0 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.728 2.285 . . . . 74.03 112.292 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -89.93 -34.57 15.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.834 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -130.43 70.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.874 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -92.2 106.98 18.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 62.32 110.837 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.67 58.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 75.45 110.834 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 m -112.1 156.04 22.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 75.04 110.819 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 m -51.93 160.65 1.09 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 73.24 110.875 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 179.51 3.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.223 . . . . 72.13 112.328 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 63.23 25.87 14.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 70.15 110.8 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -136.1 -179.61 5.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 62.51 110.933 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -150.22 107.94 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 73.1 110.946 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.9 t -55.44 118.13 4.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 75.22 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.4 t -90.82 112.05 23.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 34.44 110.9 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -70.15 -15.02 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.806 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.45 -59.19 4.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.885 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.94 11.58 31.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 74.32 110.871 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.2 mt 51.49 40.76 27.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 71.4 110.929 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -133.99 149.48 51.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 70.15 110.951 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.0 m -66.83 111.44 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 65.15 110.878 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -94.32 176.19 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 75.53 110.824 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.879 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.832 0.348 . . . . 64.32 111.136 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -114.8 164.25 14.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 53.42 110.884 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -97.5 137.16 36.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 72.1 110.889 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.5 p -155.5 159.02 39.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.87 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m -110.65 160.62 27.96 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.738 . . . . 64.52 110.868 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -25.92 27.87 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.664 2.243 . . . . 74.03 112.321 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -79.34 -38.0 36.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.913 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -129.5 75.54 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 75.12 110.939 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -92.01 106.99 18.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 62.32 110.93 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.82 56.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 75.45 110.947 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 79.9 m -106.06 156.06 18.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.939 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 m -51.9 160.71 1.07 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 73.24 110.857 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 174.46 9.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 72.13 112.303 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.7 m120 63.19 25.61 14.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 70.15 110.945 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -132.37 -177.65 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 62.51 110.97 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -153.04 108.01 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 73.1 110.895 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 t -57.29 133.68 55.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.883 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.0 t -106.98 111.54 24.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 34.44 110.866 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -14.36 62.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 74.32 110.816 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.05 -59.04 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.938 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.3 11.62 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.872 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.9 mt 51.41 41.05 27.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.897 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.02 151.6 51.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 70.15 110.899 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.5 m -70.8 110.27 5.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 65.15 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -89.92 166.66 13.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 75.53 110.894 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.0 p90 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.946 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.861 0.362 . . . . 64.32 111.108 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.8 m -115.79 169.0 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 53.42 110.869 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -94.04 147.35 23.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 72.1 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -164.93 160.84 19.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.912 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -119.42 160.51 41.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 64.52 110.824 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -16.91 38.03 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.638 2.225 . . . . 74.03 112.376 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -90.89 -36.82 13.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.91 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -129.74 70.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.852 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.47 109.95 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 62.32 110.862 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.62 57.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 75.45 110.848 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 38.6 m -107.35 156.05 19.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.891 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.89 160.85 1.03 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.604 0.716 . . . . 73.24 110.857 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 174.87 8.93 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.667 2.245 . . . . 72.13 112.326 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.8 m120 63.31 25.99 14.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 70.15 110.882 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -132.46 -177.63 4.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 62.51 110.893 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -151.65 108.09 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 73.1 110.857 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.7 t -56.55 129.21 39.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.862 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.3 t -102.55 111.74 24.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 34.44 110.847 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -15.08 62.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.845 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -65.37 -59.14 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 73.31 110.907 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.81 11.38 32.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.891 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.6 mt 51.56 40.59 27.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 71.4 110.891 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -134.02 151.09 51.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 70.15 110.907 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.0 m -69.0 109.53 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 65.15 110.874 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -90.01 179.63 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.866 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.964 179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.765 0.317 . . . . 64.32 111.149 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -106.55 158.13 17.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 53.42 110.921 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.03 157.35 19.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 72.1 110.843 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -172.45 169.47 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 75.14 110.886 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -121.64 160.46 46.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.67 0.748 . . . . 64.52 110.864 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -23.78 30.44 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 74.03 112.387 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -87.37 -34.98 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 72.32 110.887 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -129.19 70.08 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 75.12 110.938 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -95.72 108.45 20.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 62.32 110.84 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.01 58.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.45 110.895 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 m -109.88 156.01 20.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 75.04 110.886 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -51.97 160.65 1.1 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.669 0.747 . . . . 73.24 110.826 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 178.81 4.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.275 . . . . 72.13 112.287 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 63.31 26.59 15.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 70.15 110.922 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -136.98 178.9 6.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 62.51 110.954 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -147.77 108.05 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.1 110.901 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -56.43 118.41 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 75.22 110.807 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.0 t -92.09 111.73 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 34.44 110.866 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -70.03 -16.27 63.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 74.32 110.893 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -64.5 -59.03 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 73.31 110.921 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.15 11.11 33.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 74.32 110.901 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.0 mt 51.54 40.26 26.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 71.4 110.892 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.06 150.56 51.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 70.15 110.923 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 m -68.63 112.64 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 65.15 110.857 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -94.32 177.44 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.943 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.883 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.823 0.344 . . . . 64.32 111.193 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -114.48 169.05 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 53.42 110.848 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.14 154.19 18.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 72.1 110.813 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -167.95 175.18 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.902 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -133.58 160.45 68.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.685 0.755 . . . . 64.52 110.85 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -22.65 31.9 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.728 2.286 . . . . 74.03 112.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -89.88 -31.9 17.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.871 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -130.53 68.8 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.904 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -94.21 107.15 19.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 62.32 110.89 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.94 57.86 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.45 110.871 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.5 m -109.45 156.04 20.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.835 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 m -51.89 160.72 1.06 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.69 0.757 . . . . 73.24 110.861 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 177.56 5.43 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.78 2.32 . . . . 72.13 112.364 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 63.34 25.99 14.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 70.15 110.865 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -133.73 -178.11 4.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 62.51 110.966 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -151.42 107.99 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 73.1 110.835 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -59.55 119.08 6.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 75.22 110.875 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.4 t -91.27 112.87 24.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 34.44 110.881 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -70.09 -15.89 63.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.087 -0.506 . . . . 74.32 110.889 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -64.8 -59.07 4.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 73.31 110.896 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.2 10.8 33.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 74.32 110.878 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.0 mt 51.45 40.87 27.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 71.4 110.945 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.08 150.31 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 70.15 110.881 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.2 m -69.93 111.29 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 65.15 110.871 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -90.02 173.7 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 75.53 110.921 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.946 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.812 0.339 . . . . 64.32 111.075 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -105.37 144.69 31.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 53.42 110.875 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 -71.87 160.44 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 72.1 110.963 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -174.24 166.29 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 75.14 110.919 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -127.56 160.43 60.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 64.52 110.809 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 -25.44 29.11 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.695 2.263 . . . . 74.03 112.339 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -79.71 -37.96 34.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 72.32 110.866 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -133.06 77.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 75.12 110.91 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -91.82 107.1 18.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 62.32 110.855 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 55.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 75.45 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.5 m -106.04 156.09 18.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 75.04 110.875 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -51.76 160.88 0.98 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.665 0.745 . . . . 73.24 110.894 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 177.75 5.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 72.13 112.357 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 58.41 25.28 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 70.15 110.849 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -129.33 -176.97 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 62.51 110.933 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.32 107.96 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 73.1 110.825 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.21 123.69 17.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 75.22 110.872 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 t -96.24 111.72 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 34.44 110.862 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.13 -15.58 62.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 74.32 110.852 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -64.93 -59.13 4.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.936 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.56 11.17 32.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.896 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.0 mt 51.6 41.17 28.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.4 110.915 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.11 149.69 51.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 70.15 110.936 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 m -71.01 111.97 6.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 65.15 110.927 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -89.96 169.65 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 75.53 110.881 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.89 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.774 0.321 . . . . 64.32 111.057 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.5 m -105.82 168.81 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 53.42 110.871 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.27 155.96 17.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.114 -0.494 . . . . 72.1 110.906 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -169.68 162.43 9.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 75.14 110.889 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 p -123.22 160.44 50.04 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.673 0.749 . . . . 64.52 110.899 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.72 -25.1 29.12 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.714 2.276 . . . . 74.03 112.328 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -77.99 -37.92 46.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 72.32 110.858 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -134.43 78.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 75.12 110.919 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.85 107.36 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 62.32 110.82 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.98 55.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.45 110.88 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.5 m -105.23 156.0 18.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 75.04 110.869 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -51.71 160.88 0.97 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 73.24 110.841 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 177.56 5.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 72.13 112.316 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 59.11 25.45 13.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 70.15 110.915 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -130.78 -176.6 4.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 62.51 110.964 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -152.35 108.02 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.1 110.937 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 t -57.75 128.76 38.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 75.22 110.856 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.1 t -102.56 111.58 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 34.44 110.847 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -70.05 -16.08 63.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 74.32 110.862 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mppp? -64.6 -59.09 4.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.3 11.16 33.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 74.32 110.917 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.0 mt 51.49 40.22 26.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 71.4 110.928 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.07 151.69 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 70.15 110.838 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.2 m -70.72 110.8 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 65.15 110.848 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -90.06 169.73 10.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 75.53 110.884 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 74.12 110.885 -179.921 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.821 0.343 . . . . 64.32 111.098 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -103.71 167.64 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 53.42 110.839 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.52 161.75 14.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 72.1 110.928 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -174.27 173.35 3.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.14 110.879 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -128.24 160.51 61.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.652 0.739 . . . . 64.52 110.833 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -23.05 30.97 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.7 2.267 . . . . 74.03 112.363 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -90.62 -37.86 13.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.918 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -121.77 64.81 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.809 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -86.51 109.72 19.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 62.32 110.896 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 56.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.45 110.866 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 m -108.78 156.0 20.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 75.04 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 m -51.76 160.8 1.0 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.642 0.734 . . . . 73.24 110.843 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 174.88 8.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.237 . . . . 72.13 112.353 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 63.41 25.59 14.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 70.15 110.881 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -131.73 -176.38 4.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 62.51 110.885 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -151.68 107.93 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 73.1 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.2 t -58.67 120.66 9.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 75.22 110.885 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.5 t -93.55 111.81 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 34.44 110.803 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -70.17 -16.98 63.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.91 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -59.13 4.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.859 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.73 10.78 34.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.848 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.3 mt 51.64 40.27 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.941 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.07 150.03 51.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 70.15 110.907 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.1 m -69.58 111.34 5.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 65.15 110.872 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -89.97 169.29 11.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 75.53 110.891 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.935 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.846 0.355 . . . . 64.32 111.067 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -117.0 168.72 9.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 53.42 110.871 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -96.46 155.18 16.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.875 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.8 p -171.2 165.3 7.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.14 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -121.62 160.54 45.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.69 0.757 . . . . 64.52 110.868 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -25.06 29.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 74.03 112.374 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 pttt -83.47 -36.39 24.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.904 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -129.16 72.22 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.884 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.44 107.72 19.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 62.32 110.843 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.32 57.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 75.45 110.923 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -107.83 155.99 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.04 110.887 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -51.98 160.63 1.11 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 73.24 110.927 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 174.43 9.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.645 2.23 . . . . 72.13 112.362 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 62.6 26.12 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 70.15 110.904 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -132.6 -176.92 4.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 62.51 110.925 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -151.44 108.05 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 73.1 110.841 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.9 t -59.1 123.57 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.847 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.3 t -96.04 111.82 23.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 34.44 110.876 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -70.1 -14.87 62.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 74.32 110.88 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -65.38 -59.17 4.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 73.31 110.92 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.14 11.39 31.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.884 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.1 mt 51.58 41.64 28.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.4 110.924 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -134.12 149.4 51.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 70.15 110.905 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 m -70.2 110.88 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 65.15 110.848 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -89.94 167.49 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 75.53 110.911 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 74.12 110.977 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.798 0.332 . . . . 64.32 111.061 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -97.25 167.31 11.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 53.42 110.93 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -97.92 156.34 16.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 72.1 110.939 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.5 p -173.67 150.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.875 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -99.64 160.59 26.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.734 0.778 . . . . 64.52 110.798 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -25.72 27.95 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.652 2.234 . . . . 74.03 112.332 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -81.03 -37.96 28.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 72.32 110.956 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.2 75.17 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.923 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -97.09 109.23 22.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 62.32 110.844 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.63 55.46 0.75 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.881 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 156.0 17.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.04 110.842 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -53.18 160.67 1.56 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.676 0.751 . . . . 73.24 110.877 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 175.33 8.23 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.633 2.222 . . . . 72.13 112.379 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 63.35 26.32 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 70.15 110.838 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -134.55 -178.66 5.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 62.51 110.938 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -150.17 107.97 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 73.1 110.91 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 t -56.54 128.77 37.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.914 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.8 t -103.09 112.91 25.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 34.44 110.871 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -70.19 -13.78 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 74.32 110.878 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -66.43 -59.14 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 73.31 110.895 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.79 11.68 29.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 74.32 110.835 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.6 mt 51.47 40.5 26.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 71.4 110.919 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -134.07 153.58 51.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.455 . . . . 70.15 110.899 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.5 m -71.2 114.92 9.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 65.15 110.888 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -95.16 166.86 11.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 75.53 110.933 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.905 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.712 0.291 . . . . 64.32 111.057 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -101.7 156.14 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 53.42 110.88 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.82 157.58 20.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 72.1 110.815 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -173.6 152.81 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 75.14 110.833 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -108.44 160.41 27.22 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.629 0.728 . . . . 64.52 110.861 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -21.52 33.34 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 2.236 . . . . 74.03 112.373 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -79.3 -38.09 36.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.867 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -129.64 77.11 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.864 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -88.46 106.96 18.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 62.32 110.911 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.75 58.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.877 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.3 m -112.07 156.02 22.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 75.04 110.855 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.75 160.85 0.99 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.686 0.755 . . . . 73.24 110.91 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 179.54 3.6 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.759 2.306 . . . . 72.13 112.353 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 m120 59.51 25.22 14.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 70.15 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -132.8 -177.36 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 62.51 110.919 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -154.47 107.95 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.1 110.854 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 t -56.03 133.26 51.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.945 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.6 t -106.68 111.67 24.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 34.44 110.843 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 m -70.09 -13.95 62.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.845 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -66.56 -59.1 3.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.89 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.23 11.57 31.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.855 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.8 mt 51.5 40.9 27.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 71.4 110.926 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.05 152.0 51.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 70.15 110.883 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.4 m -69.7 108.89 4.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 65.15 110.866 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -90.01 174.56 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 75.53 110.897 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.9 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 121.042 0.448 . . . . 74.12 110.859 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.848 0.356 . . . . 64.32 111.117 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -106.54 165.42 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 53.42 110.88 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -90.64 159.91 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 72.1 110.922 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.3 p -174.11 178.99 1.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 75.14 110.88 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -132.94 160.55 68.19 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.681 0.753 . . . . 64.52 110.852 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -19.04 36.31 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.677 2.251 . . . . 74.03 112.398 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -94.85 -33.86 12.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 72.32 110.96 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -126.73 64.6 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 75.12 110.859 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -86.9 107.17 18.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 62.32 110.815 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.56 56.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 75.45 110.904 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.63 156.0 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 75.04 110.9 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.03 160.64 1.13 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.686 0.755 . . . . 73.24 110.863 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.72 177.59 5.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 72.13 112.356 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 63.25 29.1 15.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 70.15 110.811 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -142.14 173.0 11.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 62.51 110.871 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.39 117.48 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 73.1 110.856 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.9 t -63.7 119.3 9.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.501 . . . . 75.22 110.878 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.7 t -89.62 113.56 25.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 34.44 110.884 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -70.06 -13.09 62.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 74.32 110.88 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -67.25 -59.11 3.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 73.31 110.892 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.21 12.4 28.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 74.32 110.953 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.2 mt 51.42 39.75 25.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 71.4 110.893 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.05 150.24 51.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 70.15 110.894 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 m -69.99 111.4 5.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 65.15 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -89.95 177.26 6.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.926 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.5 t80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 74.12 110.939 -179.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.788 0.328 . . . . 64.32 111.121 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -111.85 168.91 9.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 53.42 110.812 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -97.62 160.14 14.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.1 110.874 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -173.53 175.46 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.914 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -130.16 160.47 65.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.642 0.734 . . . . 64.52 110.869 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -18.72 36.93 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.688 2.259 . . . . 74.03 112.387 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -88.97 -38.06 14.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.87 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -128.43 71.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.879 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.08 107.02 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 62.32 110.8 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.89 59.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 75.45 110.902 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 m -112.02 156.14 22.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 75.04 110.87 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -51.67 161.06 0.92 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 73.24 110.853 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 178.19 4.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 72.13 112.302 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m120 59.98 23.47 12.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 70.15 110.814 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -130.55 -176.95 4.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 62.51 110.919 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -153.48 114.09 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 73.1 110.82 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.72 132.34 53.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 75.22 110.909 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.6 t -105.15 112.14 25.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 34.44 110.877 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -70.2 -13.21 62.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 74.32 110.869 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -67.03 -59.18 3.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.867 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.77 11.88 29.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.874 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.9 mt 51.5 40.55 27.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.847 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -133.99 152.43 51.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 70.15 110.884 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.8 m -73.16 112.84 9.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 65.15 110.87 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -90.03 178.1 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.53 110.913 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.6 p90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.959 -179.958 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.732 0.301 . . . . 64.32 111.108 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.7 m -104.14 162.76 12.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 53.42 110.844 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.02 154.84 19.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 72.1 110.853 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -169.41 175.08 5.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 75.14 110.919 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.56 160.27 65.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.672 0.748 . . . . 64.52 110.893 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -25.27 28.93 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 2.256 . . . . 74.03 112.4 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -84.46 -37.24 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 72.32 110.884 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -128.48 71.79 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 75.12 110.94 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -95.99 115.11 26.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 62.32 110.84 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -124.86 58.05 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 75.45 110.857 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.2 m -110.73 155.71 22.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 75.04 110.929 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.33 160.61 1.23 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.656 0.741 . . . . 73.24 110.808 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 178.71 4.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.706 2.271 . . . . 72.13 112.384 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 63.04 26.94 15.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 70.15 110.888 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -136.44 179.44 6.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 62.51 110.884 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -147.65 108.12 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 73.1 110.849 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -59.85 108.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 75.22 110.951 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.5 t -81.13 113.67 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 34.44 110.824 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -70.17 -17.51 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 74.32 110.874 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -59.13 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 73.31 110.89 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.26 9.95 35.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.848 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.6 mt 51.57 40.58 27.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 71.4 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.09 150.39 51.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 70.15 110.948 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.8 m -69.55 110.57 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 65.15 110.931 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -90.03 177.97 6.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.9 p90 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 74.12 110.953 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.853 0.358 . . . . 44.14 110.86 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -119.02 91.81 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 63.53 110.911 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -98.83 99.3 10.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 74.34 110.839 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.5 p -69.94 156.51 39.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.874 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -80.37 179.95 7.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 74.35 110.913 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.34 -170.05 23.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 64.11 112.489 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 31.4 p90 -79.07 -33.44 44.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.315 . . . . 63.31 110.888 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.08 39.53 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 64.32 111.087 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m -118.06 168.99 10.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 53.42 110.837 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.0 mmt85 -99.95 145.18 28.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 72.1 110.909 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -162.8 165.21 25.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.14 110.94 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 p -120.57 160.44 44.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.62 0.724 . . . . 64.52 110.898 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -22.1 32.81 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.678 2.252 . . . . 74.03 112.377 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -79.18 -37.85 37.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 72.32 110.887 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -135.17 79.7 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 75.12 110.881 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -93.8 107.12 19.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 62.32 110.869 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.7 60.76 0.77 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 75.45 110.926 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 78.6 m -112.03 156.01 22.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 75.04 110.893 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.86 160.75 1.05 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.609 0.719 . . . . 73.24 110.892 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 175.01 8.75 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.68 2.253 . . . . 72.13 112.318 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 63.28 25.87 14.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 70.15 110.873 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -131.6 -178.09 4.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 62.51 110.922 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.9 tptm -152.53 108.02 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.117 -0.492 . . . . 73.1 110.853 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 t -58.94 126.13 26.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 75.22 110.904 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.2 t -98.33 111.7 23.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 34.44 110.839 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.0 m -70.11 -14.13 62.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.853 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -66.19 -59.13 4.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.156 -0.474 . . . . 73.31 110.909 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.46 11.58 30.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.857 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 59.3 mt 51.65 41.68 29.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 71.4 110.874 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 -134.04 149.54 51.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 70.15 110.882 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.2 m -70.35 110.91 5.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 65.15 110.883 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mtpt -90.0 177.03 6.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 75.53 110.91 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -88.65 131.64 34.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.274 -0.421 . . . . 74.12 110.92 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.92 -25.82 40.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.919 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.3 mt -99.8 132.47 45.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 74.33 111.128 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.8 t90 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 73.23 110.958 179.891 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.873 0.368 . . . . 44.14 110.909 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -174.17 161.58 3.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.158 -0.474 . . . . 63.53 110.874 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -101.39 98.55 8.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.823 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.2 p -69.11 168.39 14.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 75.11 110.809 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.49 179.87 5.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 74.35 110.931 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.89 -175.61 22.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.676 -0.773 . . . . 64.11 112.501 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.1 p90 -73.06 -30.46 63.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.743 0.306 . . . . 63.31 110.876 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.32 25.01 4.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.317 -0.401 . . . . 64.32 111.054 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 75.1 m -106.36 165.94 10.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 53.42 110.867 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.09 160.45 14.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 72.1 110.837 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -174.25 164.39 3.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.855 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -120.94 160.56 44.37 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.739 0.781 . . . . 64.52 110.861 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -25.98 28.23 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.647 2.231 . . . . 74.03 112.321 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -78.99 -37.9 38.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 72.32 110.92 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -132.4 77.17 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.922 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -92.55 106.97 18.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 62.32 110.838 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.82 55.28 0.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 75.45 110.859 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.4 m -104.2 156.03 18.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 75.04 110.88 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.2 m -51.95 160.69 1.09 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.641 0.734 . . . . 73.24 110.859 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 174.49 9.48 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 72.13 112.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 62.51 26.01 15.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 70.15 110.984 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -133.39 -177.04 4.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 62.51 110.948 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.0 tptt -151.59 108.04 3.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.137 -0.483 . . . . 73.1 110.886 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 18.5 t -58.37 122.34 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 75.22 110.844 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.6 t -94.93 111.81 23.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 34.44 110.841 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -70.19 -15.85 62.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.843 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -64.63 -59.11 4.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.929 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -105.64 11.03 32.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.895 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 98.6 mt 51.76 41.06 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 71.4 110.891 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.01 149.34 51.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.44 . . . . 70.15 110.962 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.4 m -69.39 111.07 5.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 65.15 110.923 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mtpt -90.17 169.86 10.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 75.53 110.918 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -85.01 142.54 29.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.234 -0.439 . . . . 74.12 110.967 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 -25.78 38.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 74.42 110.933 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 pt -73.65 164.62 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 74.33 111.154 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 13.7 m0 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.156 -0.474 . . . . 73.23 110.93 179.926 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.829 0.347 . . . . 44.14 110.873 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -148.31 157.24 43.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 63.53 110.929 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -105.36 102.37 11.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 74.34 110.859 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.3 p -120.24 167.85 11.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 75.11 110.915 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.4 mt -84.54 179.96 7.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.454 . . . . 74.35 110.893 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.52 -173.07 24.88 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 64.11 112.48 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 42.3 p90 -78.24 -30.65 48.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 63.31 110.934 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.3 24.87 4.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 64.32 111.041 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -103.84 165.93 10.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 53.42 110.831 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -96.27 158.68 15.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 72.1 110.876 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -173.99 161.65 3.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 75.14 110.909 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -116.77 160.55 36.21 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 64.52 110.865 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -22.92 31.55 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.695 2.263 . . . . 74.03 112.339 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -78.64 -38.0 40.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.872 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -133.24 78.87 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 75.12 110.85 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -92.34 107.06 18.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 62.32 110.863 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.21 60.76 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 75.45 110.937 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 65.9 m -112.01 156.03 22.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 75.04 110.889 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 m -51.92 160.64 1.09 Allowed Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.568 0.699 . . . . 73.24 110.922 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 175.12 8.57 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.637 2.224 . . . . 72.13 112.403 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.8 m120 63.23 26.29 15.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 70.15 110.858 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -132.91 -178.74 5.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 62.51 110.868 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -151.65 107.96 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 73.1 110.904 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.5 t -57.99 128.92 39.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.965 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 t -101.93 111.42 23.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 34.44 110.838 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -70.12 -15.01 62.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 74.32 110.849 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -65.41 -59.11 4.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 73.31 110.945 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.03 11.49 31.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.943 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.8 mt 51.51 41.2 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.971 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.05 150.27 51.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 70.15 110.912 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.3 m -70.32 110.36 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 65.15 110.899 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -90.02 175.37 7.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 75.53 110.879 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -83.43 134.21 34.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.12 111.015 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.78 -25.77 63.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.831 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 34.6 mt -88.19 145.64 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.33 111.115 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.5 m95 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.87 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.864 0.364 . . . . 44.14 110.833 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -84.3 123.64 30.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 63.53 110.869 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.36 91.59 8.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 74.34 110.874 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.0 p -136.43 168.72 18.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.411 . . . . 75.11 110.939 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.5 mt -79.79 179.83 7.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 74.35 110.985 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.08 -172.41 24.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 64.11 112.544 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -81.44 -33.93 31.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.769 0.319 . . . . 63.31 110.909 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.83 40.35 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 64.32 111.136 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.1 m -116.35 168.98 9.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 53.42 110.776 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -99.83 131.25 45.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 72.1 110.908 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -145.04 178.37 8.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 75.14 110.857 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -133.33 160.51 68.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.67 0.748 . . . . 64.52 110.771 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -17.26 37.41 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.683 2.256 . . . . 74.03 112.362 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -94.33 -35.81 12.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.862 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 59.7 m-20 -120.67 63.07 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 75.12 110.879 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -83.08 107.06 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 62.32 110.878 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.2 55.15 1.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 75.45 110.894 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.6 m -111.55 156.02 22.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 75.04 110.918 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.07 160.68 1.13 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.685 0.755 . . . . 73.24 110.829 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 178.36 4.67 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.683 2.255 . . . . 72.13 112.358 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m120 63.2 26.18 15.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 70.15 110.897 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -135.2 -177.67 4.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 62.51 110.94 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.8 tmtt? -152.36 107.98 3.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.1 110.971 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.8 t -57.47 119.47 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 75.22 110.885 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.2 t -91.96 111.88 23.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 34.44 110.869 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.6 m -70.04 -15.35 62.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.906 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? -65.15 -59.18 4.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.495 . . . . 73.31 110.932 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.56 11.19 32.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.866 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.8 mt 51.73 40.89 28.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 71.4 110.931 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.01 149.28 51.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 70.15 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.5 m -68.33 109.67 3.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 65.15 110.837 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -89.98 170.45 10.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 75.53 110.89 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.03 142.34 35.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 74.12 110.944 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -78.79 -25.68 44.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 74.42 110.921 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.5 mt -89.42 140.08 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 74.33 111.091 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 46.9 t90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 73.23 110.897 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.827 0.346 . . . . 44.14 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -128.02 142.5 51.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 63.53 110.899 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -72.96 90.82 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.852 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.0 p -128.69 151.25 49.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 75.11 110.919 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.609 HD22 ' OG ' ' A' ' 9' ' ' SER . 13.2 mt -69.11 179.27 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 74.35 110.876 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -104.83 -170.51 24.38 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 64.11 112.451 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.8 p90 -81.64 -33.71 31.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.751 0.31 . . . . 63.31 110.882 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.36 38.48 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.419 . . . . 64.32 111.076 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.609 ' OG ' HD22 ' A' ' 5' ' ' LEU . 1.3 t -116.78 168.99 9.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 53.42 110.819 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -98.15 148.35 23.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 72.1 110.889 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -164.13 179.03 7.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.895 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -134.52 160.52 68.15 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.627 0.727 . . . . 64.52 110.88 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 -25.33 28.27 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.67 2.247 . . . . 74.03 112.284 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -78.89 -37.98 38.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.319 -0.4 . . . . 72.32 110.823 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -134.08 78.42 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.319 -0.4 . . . . 75.12 110.955 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -96.37 106.98 19.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 62.32 110.83 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.515 ' HG2' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -116.26 60.14 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.861 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 47.9 m -112.04 156.05 22.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 75.04 110.898 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.94 160.82 1.05 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.611 0.719 . . . . 73.24 110.885 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 176.99 6.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 72.13 112.365 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.2 m120 63.16 25.77 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 70.15 110.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -133.29 -177.62 4.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 62.51 110.892 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -152.84 107.97 3.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.509 . . . . 73.1 110.909 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.2 t -58.38 114.15 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.471 . . . . 75.22 110.898 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.1 t -85.49 112.21 20.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.152 -0.476 . . . . 34.44 110.844 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.7 m -70.17 -15.99 63.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.862 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -64.54 -59.22 4.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 73.31 110.938 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.3 11.01 33.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 74.32 110.87 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 mt 51.61 40.91 28.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 71.4 110.918 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.03 148.85 51.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 70.15 110.924 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.6 m -68.62 111.43 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 65.15 110.871 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -89.95 179.25 6.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.922 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -89.08 141.26 28.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.043 0.449 . . . . 74.12 110.853 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -90.2 -25.72 20.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 74.42 110.951 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 mm -122.45 137.53 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 74.33 111.064 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 28.2 p90 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.111 -0.495 . . . . 73.23 110.955 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.5 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.881 0.372 . . . . 44.14 110.828 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -91.71 100.96 13.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.097 -0.501 . . . . 63.53 110.933 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -94.5 95.05 8.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 74.34 110.902 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.5 p -120.77 161.38 21.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 75.11 110.857 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.404 HD12 ' O ' ' A' ' 17' ' ' LYS . 15.3 mt -75.36 172.6 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 74.35 110.989 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -95.31 173.09 31.07 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.817 -0.706 . . . . 64.11 112.497 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.7 p90 -74.2 -29.96 61.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.822 0.344 . . . . 63.31 110.954 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.19 24.91 4.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.424 . . . . 64.32 111.11 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 m -98.25 169.02 9.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 53.42 110.835 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -102.05 129.83 48.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 72.1 110.893 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -143.33 178.92 7.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 75.14 110.887 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.7 m -131.33 160.48 66.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.665 0.745 . . . . 64.52 110.91 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -16.71 37.38 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.647 2.232 . . . . 74.03 112.337 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.9 pttt -94.99 -32.02 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 72.32 110.886 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -134.31 69.33 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 75.12 110.853 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -95.85 111.61 23.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 62.32 110.815 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.404 ' O ' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -120.65 59.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 75.45 110.892 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -112.03 155.95 22.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 75.04 110.857 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.88 160.61 1.09 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.58 0.705 . . . . 73.24 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 179.38 3.72 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.685 2.257 . . . . 72.13 112.384 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 63.22 26.22 15.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 70.15 110.891 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -135.21 177.99 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 62.51 110.893 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -145.23 107.98 4.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 73.1 110.875 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -58.04 101.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 75.22 110.826 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.7 t -74.13 112.68 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 34.44 110.869 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -16.56 63.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 74.32 110.854 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -59.15 4.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.13 -0.486 . . . . 73.31 110.868 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.63 10.34 34.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.415 . . . . 74.32 110.873 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.9 mt 51.63 40.97 28.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 71.4 110.888 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.11 149.85 51.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.263 -0.426 . . . . 70.15 110.926 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 m -68.8 110.07 4.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 65.15 110.884 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.1 mtpp -90.16 170.56 10.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 75.53 110.898 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -81.45 133.87 35.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.878 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -85.15 -25.85 27.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.055 -0.521 . . . . 74.42 110.832 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.8 mt -51.77 144.51 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 74.33 111.094 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 7.7 m0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.934 179.85 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.3 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.801 0.334 . . . . 44.14 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -118.14 130.07 55.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 63.53 110.933 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -82.18 93.67 7.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 74.34 110.853 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.7 p -55.97 153.85 8.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 75.11 110.841 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.555 HD12 ' HG2' ' A' ' 17' ' ' LYS . 12.2 mt -66.72 178.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 74.35 110.88 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.56 -177.11 27.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.742 . . . . 64.11 112.448 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 12.7 p-90 -78.08 -32.88 50.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.78 0.324 . . . . 63.31 110.911 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.45 33.27 1.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 64.32 111.095 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -108.43 169.05 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 53.42 110.871 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.5 mmt-85 -98.38 140.82 32.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 72.1 110.851 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -155.83 173.28 16.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 75.14 110.851 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -127.21 160.45 59.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.638 0.732 . . . . 64.52 110.892 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -19.34 36.0 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.728 2.285 . . . . 74.03 112.292 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -89.93 -34.57 15.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 72.32 110.834 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -130.43 70.43 1.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.874 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -92.2 106.98 18.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 62.32 110.837 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.555 ' HG2' HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -120.67 58.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 75.45 110.834 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.5 m -112.1 156.04 22.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 75.04 110.819 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 m -51.93 160.65 1.09 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.633 0.73 . . . . 73.24 110.875 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 179.51 3.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.634 2.223 . . . . 72.13 112.328 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 63.23 25.87 14.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 70.15 110.8 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -136.1 -179.61 5.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 62.51 110.933 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -150.22 107.94 3.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 73.1 110.946 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.9 t -55.44 118.13 4.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 75.22 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.4 t -90.82 112.05 23.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 34.44 110.9 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.3 m -70.15 -15.02 62.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.806 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.45 -59.19 4.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 73.31 110.885 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.94 11.58 31.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 74.32 110.871 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 94.2 mt 51.49 40.76 27.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 71.4 110.929 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -133.99 149.48 51.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 70.15 110.951 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.0 m -66.83 111.44 3.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 65.15 110.878 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -94.32 176.19 6.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 75.53 110.824 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -82.5 147.98 28.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.12 110.879 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt -77.47 -25.78 50.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 74.42 110.922 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.4 mt -98.63 140.55 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 74.33 111.13 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 50.0 p-90 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 73.23 110.982 179.863 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 65.0 p . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.817 0.341 . . . . 44.14 110.82 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -97.52 96.06 8.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 63.53 110.897 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -101.18 94.15 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 74.34 110.892 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 13.7 p -127.58 165.21 20.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 75.11 110.916 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.5 mt -85.97 174.62 9.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 74.35 110.858 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.06 -172.52 30.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 64.11 112.487 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -74.59 -33.67 62.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.778 0.323 . . . . 63.31 110.943 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.78 37.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 64.32 111.136 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 m -114.8 164.25 14.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 53.42 110.884 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -97.5 137.16 36.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 72.1 110.889 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.5 p -155.5 159.02 39.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 75.14 110.87 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.5 m -110.65 160.62 27.96 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.651 0.738 . . . . 64.52 110.868 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -25.92 27.87 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.664 2.243 . . . . 74.03 112.321 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.3 mmmt -79.34 -38.0 36.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 72.32 110.913 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -129.5 75.54 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 75.12 110.939 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -92.01 106.99 18.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 62.32 110.93 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.82 56.75 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 75.45 110.947 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 79.9 m -106.06 156.06 18.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 75.04 110.939 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 m -51.9 160.71 1.07 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.644 0.735 . . . . 73.24 110.857 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 174.46 9.54 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 72.13 112.303 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.7 m120 63.19 25.61 14.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 70.15 110.945 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -132.37 -177.65 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 62.51 110.97 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -153.04 108.01 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 73.1 110.895 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 t -57.29 133.68 55.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 75.22 110.883 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 35.0 t -106.98 111.54 24.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 34.44 110.866 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.17 -14.36 62.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 74.32 110.816 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -66.05 -59.04 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 73.31 110.938 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.3 11.62 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 74.32 110.872 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.9 mt 51.41 41.05 27.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 71.4 110.897 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.02 151.6 51.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 70.15 110.899 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.5 m -70.8 110.27 5.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 65.15 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -89.92 166.66 13.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 75.53 110.894 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -74.07 146.43 43.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.946 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -88.55 -25.65 22.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 74.42 110.891 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.4 mt -122.47 142.87 37.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.33 111.093 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 26.7 t90 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.492 . . . . 73.23 110.956 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 C--O 1.23 0.028 0 CA-C-O 120.84 0.352 . . . . 44.14 110.838 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -91.57 146.16 24.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 63.53 110.834 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -95.15 97.34 9.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 74.34 110.848 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.8 p -70.47 168.99 15.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.932 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.445 HD12 ' SG ' ' A' ' 18' ' ' CYS . 66.8 mt -80.19 179.91 7.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 74.35 110.984 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.79 162.8 14.04 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.705 -0.759 . . . . 64.11 112.448 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.1 p-90 -52.03 -33.81 40.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.788 0.328 . . . . 63.31 110.935 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -108.81 47.8 0.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 64.32 111.108 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.8 m -115.79 169.0 9.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 53.42 110.869 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.5 mmt180 -94.04 147.35 23.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 72.1 110.88 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.6 p -164.93 160.84 19.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.912 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -119.42 160.51 41.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 64.52 110.824 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -16.91 38.03 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.638 2.225 . . . . 74.03 112.376 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -90.89 -36.82 13.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 72.32 110.91 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -129.74 70.78 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.852 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.47 109.95 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 62.32 110.862 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.62 57.27 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 75.45 110.848 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.445 ' SG ' HD12 ' A' ' 5' ' ' LEU . 38.6 m -107.35 156.05 19.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 75.04 110.891 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -51.89 160.85 1.03 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.604 0.716 . . . . 73.24 110.857 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 174.87 8.93 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.667 2.245 . . . . 72.13 112.326 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.8 m120 63.31 25.99 14.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 70.15 110.882 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -132.46 -177.63 4.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 62.51 110.893 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -151.65 108.09 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 73.1 110.857 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.7 t -56.55 129.21 39.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.862 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 37.3 t -102.55 111.74 24.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 34.44 110.847 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.08 -15.08 62.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.845 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -65.37 -59.14 4.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 73.31 110.907 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.81 11.38 32.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 74.32 110.891 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.6 mt 51.56 40.59 27.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 71.4 110.891 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -134.02 151.09 51.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 70.15 110.907 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.0 m -69.0 109.53 4.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 65.15 110.874 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -90.01 179.63 5.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.866 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -81.06 148.08 29.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.964 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.4 tmtt? -88.08 -25.82 22.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 74.42 110.868 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 68.6 mt -101.8 134.4 42.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 74.33 111.153 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 . . . . . 0 C--N 1.327 -0.397 0 CA-C-N 116.222 -0.445 . . . . 73.23 110.938 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.811 0.339 . . . . 44.14 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -105.03 124.17 49.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 63.53 110.904 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -85.94 94.53 9.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.877 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.0 p -132.37 154.18 50.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 75.11 110.91 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.79 HD22 ' HB3' ' A' ' 9' ' ' SER . 9.8 mt -60.14 178.14 0.21 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.176 -0.465 . . . . 74.35 110.907 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.53 -173.84 23.12 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.75 -0.738 . . . . 64.11 112.488 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 37.5 p90 -76.75 -32.85 58.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.753 0.311 . . . . 63.31 110.918 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.55 29.18 2.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 64.32 111.149 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.79 ' HB3' HD22 ' A' ' 5' ' ' LEU . 66.3 m -106.55 158.13 17.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 53.42 110.921 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.03 157.35 19.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 72.1 110.843 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -172.45 169.47 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 75.14 110.886 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m -121.64 160.46 46.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.67 0.748 . . . . 64.52 110.864 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -23.78 30.44 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.654 2.236 . . . . 74.03 112.387 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -87.37 -34.98 18.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 72.32 110.887 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -129.19 70.08 1.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 75.12 110.938 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -95.72 108.45 20.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 62.32 110.84 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.01 58.63 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.45 110.895 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 m -109.88 156.01 20.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 75.04 110.886 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -51.97 160.65 1.1 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.669 0.747 . . . . 73.24 110.826 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 178.81 4.16 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.712 2.275 . . . . 72.13 112.287 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 63.31 26.59 15.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 70.15 110.922 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -136.98 178.9 6.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 62.51 110.954 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.0 tptt -147.77 108.05 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 73.1 110.901 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.3 t -56.43 118.41 4.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 75.22 110.807 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.0 t -92.09 111.73 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 34.44 110.866 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -70.03 -16.27 63.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 74.32 110.893 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -64.5 -59.03 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 73.31 110.921 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.15 11.11 33.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 74.32 110.901 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.0 mt 51.54 40.26 26.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 71.4 110.892 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.06 150.56 51.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 70.15 110.923 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.3 m -68.63 112.64 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 65.15 110.857 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -94.32 177.44 5.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 75.53 110.943 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -85.83 147.81 26.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.883 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -77.69 -25.79 49.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.911 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.2 mm -96.52 133.61 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 74.33 111.166 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 73.1 m95 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.188 -0.46 . . . . 73.23 110.907 179.917 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.843 0.354 . . . . 44.14 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -94.56 87.88 5.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.092 -0.504 . . . . 63.53 110.872 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.51 92.52 4.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 74.34 110.839 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.6 p -71.27 162.48 29.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 75.11 110.893 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.1 mt -84.4 179.36 7.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 74.35 110.937 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.51 -177.38 27.29 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.674 -0.774 . . . . 64.11 112.488 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 27.1 p90 -78.39 -33.86 48.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.814 0.34 . . . . 63.31 110.902 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.81 36.39 1.19 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 64.32 111.193 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -114.48 169.05 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 53.42 110.848 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.14 154.19 18.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 72.1 110.813 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -167.95 175.18 6.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.14 110.902 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -133.58 160.45 68.56 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.685 0.755 . . . . 64.52 110.85 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -22.65 31.9 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.728 2.286 . . . . 74.03 112.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -89.88 -31.9 17.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 72.32 110.871 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -130.53 68.8 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.904 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -94.21 107.15 19.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 62.32 110.89 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.94 57.86 0.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 75.45 110.871 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.5 m -109.45 156.04 20.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 75.04 110.835 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 m -51.89 160.72 1.06 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.69 0.757 . . . . 73.24 110.861 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 177.56 5.43 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.78 2.32 . . . . 72.13 112.364 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 63.34 25.99 14.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 70.15 110.865 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -133.73 -178.11 4.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.204 -0.453 . . . . 62.51 110.966 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -151.42 107.99 3.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 73.1 110.835 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -59.55 119.08 6.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 75.22 110.875 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.4 t -91.27 112.87 24.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 34.44 110.881 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -70.09 -15.89 63.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.087 -0.506 . . . . 74.32 110.889 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -64.8 -59.07 4.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.108 -0.496 . . . . 73.31 110.896 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -105.2 10.8 33.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 74.32 110.878 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.0 mt 51.45 40.87 27.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 71.4 110.945 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -134.08 150.31 51.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 70.15 110.881 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.2 m -69.93 111.29 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 65.15 110.871 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.3 mtpt -90.02 173.7 8.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 75.53 110.921 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -87.27 124.76 33.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.946 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.04 -25.85 61.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 74.42 110.885 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 4.7 mp -96.23 136.26 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.114 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 84.3 m95 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.167 -0.47 . . . . 73.23 110.871 179.935 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.78 0.324 . . . . 44.14 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -100.37 119.89 39.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 63.53 110.847 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -108.07 104.43 13.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 74.34 110.88 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.9 p -99.05 170.29 8.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 75.11 110.876 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -87.16 173.66 9.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.456 . . . . 74.35 110.903 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -105.0 -176.29 24.53 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 64.11 112.528 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 45.2 p90 -70.19 -34.3 72.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.756 0.313 . . . . 63.31 110.925 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.52 24.97 4.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 64.32 111.075 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.9 m -105.37 144.69 31.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 53.42 110.875 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 -71.87 160.44 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 72.1 110.963 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -174.24 166.29 4.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 75.14 110.919 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -127.56 160.43 60.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.628 0.728 . . . . 64.52 110.809 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.65 -25.44 29.11 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.695 2.263 . . . . 74.03 112.339 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.6 pttt -79.71 -37.96 34.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 72.32 110.866 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -133.06 77.26 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 75.12 110.91 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -91.82 107.1 18.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 62.32 110.855 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.51 55.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 75.45 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 56.5 m -106.04 156.09 18.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 75.04 110.875 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -51.76 160.88 0.98 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.665 0.745 . . . . 73.24 110.894 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 177.75 5.27 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 72.13 112.357 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 58.41 25.28 12.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 70.15 110.849 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -129.33 -176.97 4.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 62.51 110.933 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.32 107.96 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 73.1 110.825 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.2 t -60.21 123.69 17.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.301 -0.409 . . . . 75.22 110.872 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.1 t -96.24 111.72 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 34.44 110.862 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.13 -15.58 62.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 74.32 110.852 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -64.93 -59.13 4.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.936 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.56 11.17 32.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.896 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.0 mt 51.6 41.17 28.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 71.4 110.915 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.11 149.69 51.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 70.15 110.936 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.1 m -71.01 111.97 6.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 65.15 110.927 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -89.96 169.65 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 75.53 110.881 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -85.79 124.64 32.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.89 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -79.28 -25.88 42.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 74.42 110.899 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.6 mm -75.13 134.64 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 74.33 111.144 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 64.9 p-90 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.85 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.777 0.322 . . . . 44.14 110.916 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 53.43 44.38 30.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 63.53 110.904 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -89.67 95.49 10.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.085 -0.507 . . . . 74.34 110.86 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.2 p -125.66 161.29 27.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 75.11 110.893 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.7 mt -85.63 171.93 11.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 74.35 110.894 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.11 166.52 29.8 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.715 -0.755 . . . . 64.11 112.485 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -61.16 -33.15 72.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.85 0.357 . . . . 63.31 110.899 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.62 28.38 3.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 64.32 111.057 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.5 m -105.82 168.81 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 53.42 110.871 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.27 155.96 17.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.114 -0.494 . . . . 72.1 110.906 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -169.68 162.43 9.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 75.14 110.889 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 p -123.22 160.44 50.04 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.673 0.749 . . . . 64.52 110.899 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.72 -25.1 29.12 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.714 2.276 . . . . 74.03 112.328 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.8 mtmm -77.99 -37.92 46.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 72.32 110.858 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -134.43 78.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 75.12 110.919 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.85 107.36 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 62.32 110.82 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.98 55.12 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.45 110.88 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 61.5 m -105.23 156.0 18.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 75.04 110.869 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -51.71 160.88 0.97 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.667 0.746 . . . . 73.24 110.841 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 177.56 5.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 72.13 112.316 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 59.11 25.45 13.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 70.15 110.915 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -130.78 -176.6 4.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 62.51 110.964 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.2 tptm -152.35 108.02 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.1 110.937 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 6.2 t -57.75 128.76 38.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 75.22 110.856 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.1 t -102.56 111.58 23.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 34.44 110.847 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -70.05 -16.08 63.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 74.32 110.862 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mppp? -64.6 -59.09 4.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 73.31 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.3 11.16 33.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 74.32 110.917 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 93.0 mt 51.49 40.22 26.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 71.4 110.928 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.07 151.69 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 70.15 110.838 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.2 m -70.72 110.8 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 65.15 110.848 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 mtpt -90.06 169.73 10.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 75.53 110.884 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -80.59 142.83 33.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.228 -0.442 . . . . 74.12 110.885 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.1 tttm -90.51 -25.55 20.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 74.42 110.864 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 74.6 mt -54.72 140.37 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 74.33 111.099 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.0 p90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.154 -0.475 . . . . 73.23 110.887 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 21.8 t . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.853 0.358 . . . . 44.14 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -57.83 132.55 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.136 -0.484 . . . . 63.53 110.808 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -107.99 104.52 13.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 74.34 110.851 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.4 p -149.72 173.25 13.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 75.11 110.915 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mt -92.69 148.84 21.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 74.35 110.908 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.57 169.46 53.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.686 -0.768 . . . . 64.11 112.481 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 30.6 p90 -66.32 -32.71 74.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.816 0.341 . . . . 63.31 110.923 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.27 25.36 4.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 64.32 111.098 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 t -103.71 167.64 9.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 53.42 110.839 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.52 161.75 14.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 72.1 110.928 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -174.27 173.35 3.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 75.14 110.879 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -128.24 160.51 61.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.652 0.739 . . . . 64.52 110.833 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -23.05 30.97 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.7 2.267 . . . . 74.03 112.363 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -90.62 -37.86 13.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.918 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -121.77 64.81 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.809 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -86.51 109.72 19.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 62.32 110.896 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.92 56.1 1.09 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 75.45 110.866 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 m -108.78 156.0 20.12 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.469 . . . . 75.04 110.905 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 m -51.76 160.8 1.0 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.642 0.734 . . . . 73.24 110.843 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 174.88 8.9 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.237 . . . . 72.13 112.353 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 63.41 25.59 14.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 70.15 110.881 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -131.73 -176.38 4.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 62.51 110.885 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.1 tptp -151.68 107.93 3.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 73.1 110.894 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 11.2 t -58.67 120.66 9.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 75.22 110.885 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 40.5 t -93.55 111.81 23.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 34.44 110.803 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.0 m -70.17 -16.98 63.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.105 -0.498 . . . . 74.32 110.91 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.84 -59.13 4.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 73.31 110.859 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.73 10.78 34.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 74.32 110.848 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.3 mt 51.64 40.27 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 71.4 110.941 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.07 150.03 51.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 70.15 110.907 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.1 m -69.58 111.34 5.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 65.15 110.872 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -89.97 169.29 11.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 75.53 110.891 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -86.76 141.82 28.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 74.12 110.935 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.44 -25.88 38.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 74.42 110.885 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.3 mt -73.23 142.75 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 74.33 111.175 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 25.5 p90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 73.23 110.903 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.7 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.781 0.324 . . . . 44.14 110.792 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.96 30.37 7.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 63.53 110.844 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -106.18 99.78 9.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 74.34 110.913 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.4 p -140.2 152.65 46.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.879 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.9 mt -67.59 176.98 2.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 74.35 110.952 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -109.36 -172.98 20.88 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.782 -0.723 . . . . 64.11 112.511 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.1 p90 -71.84 -32.66 67.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 63.31 110.919 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.34 38.9 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 64.32 111.067 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -117.0 168.72 9.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 53.42 110.871 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -96.46 155.18 16.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.875 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.8 p -171.2 165.3 7.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 75.14 110.903 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 m -121.62 160.54 45.94 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.69 0.757 . . . . 64.52 110.868 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -25.06 29.02 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 74.03 112.374 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 pttt -83.47 -36.39 24.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 72.32 110.904 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -129.16 72.22 1.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.884 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -89.44 107.72 19.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 62.32 110.843 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.32 57.33 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 75.45 110.923 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -107.83 155.99 19.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 75.04 110.887 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.0 m -51.98 160.63 1.11 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 73.24 110.927 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 174.43 9.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.645 2.23 . . . . 72.13 112.362 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 62.6 26.12 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 70.15 110.904 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -132.6 -176.92 4.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 62.51 110.925 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -151.44 108.05 3.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.067 -0.515 . . . . 73.1 110.841 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.9 t -59.1 123.57 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.22 110.847 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 34.3 t -96.04 111.82 23.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.477 . . . . 34.44 110.876 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 m -70.1 -14.87 62.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 74.32 110.88 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -65.38 -59.17 4.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 73.31 110.92 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.14 11.39 31.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 74.32 110.884 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.1 mt 51.58 41.64 28.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.4 110.924 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -134.12 149.4 51.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 70.15 110.905 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.6 m -70.2 110.88 5.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 65.15 110.848 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -89.94 167.49 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 75.53 110.911 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -82.27 125.19 30.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 74.12 110.977 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.7 ttpp -65.61 -26.98 68.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.881 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 16.3 pt -67.43 165.06 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 74.33 111.145 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 4.9 p-90 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 73.23 110.934 179.859 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.6 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.89 0.376 . . . . 44.14 110.839 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -97.48 130.78 44.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 63.53 110.885 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -83.21 93.62 7.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.34 110.833 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.6 p -146.7 -179.03 6.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 75.11 110.926 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.2 mt -88.07 160.55 17.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 74.35 110.864 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -83.94 173.52 50.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.702 -0.761 . . . . 64.11 112.427 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 36.9 p90 -66.13 -33.65 76.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.789 0.328 . . . . 63.31 110.935 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.3 25.02 4.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 64.32 111.061 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.8 t -97.25 167.31 11.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 53.42 110.93 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.2 ppt_? -97.92 156.34 16.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 72.1 110.939 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.5 p -173.67 150.98 1.8 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.875 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.1 m -99.64 160.59 26.97 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.734 0.778 . . . . 64.52 110.798 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -25.72 27.95 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.652 2.234 . . . . 74.03 112.332 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -81.03 -37.96 28.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 72.32 110.956 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -132.2 75.17 1.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.923 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -97.09 109.23 22.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 62.32 110.844 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.63 55.46 0.75 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 75.45 110.881 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -100.89 156.0 17.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 75.04 110.842 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -53.18 160.67 1.56 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.676 0.751 . . . . 73.24 110.877 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 175.33 8.23 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.633 2.222 . . . . 72.13 112.379 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 63.35 26.32 14.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 70.15 110.838 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -134.55 -178.66 5.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 62.51 110.938 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -150.17 107.97 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 73.1 110.91 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 2.5 t -56.54 128.77 37.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 75.22 110.914 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.8 t -103.09 112.91 25.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 34.44 110.871 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -70.19 -13.78 62.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 74.32 110.878 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -66.43 -59.14 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 73.31 110.895 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.79 11.68 29.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 74.32 110.835 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 70.6 mt 51.47 40.5 26.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 71.4 110.919 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -134.07 153.58 51.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.2 -0.455 . . . . 70.15 110.899 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.5 m -71.2 114.92 9.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 65.15 110.888 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -95.16 166.86 11.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 75.53 110.933 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -81.25 138.92 35.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.905 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.9 mttt -73.51 -25.89 60.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 74.42 110.887 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.3 mm -97.55 149.92 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 74.33 111.157 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 58.3 m95 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.868 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.877 0.37 . . . . 44.14 110.826 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -77.95 167.26 21.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.081 -0.509 . . . . 63.53 110.967 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -108.05 104.42 13.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.858 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.5 p -134.53 169.04 17.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.468 . . . . 75.11 110.943 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.6 mt -85.22 -179.95 7.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.35 110.886 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -100.63 -176.43 29.75 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.727 -0.749 . . . . 64.11 112.473 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 32.6 p90 -76.63 -33.09 58.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.772 0.32 . . . . 63.31 110.956 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.2 24.84 4.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 64.32 111.057 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -101.7 156.14 17.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 53.42 110.88 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -84.82 157.58 20.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 72.1 110.815 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.5 p -173.6 152.81 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 75.14 110.833 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -108.44 160.41 27.22 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.629 0.728 . . . . 64.52 110.861 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -21.52 33.34 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.654 2.236 . . . . 74.03 112.373 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -79.3 -38.09 36.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.172 -0.467 . . . . 72.32 110.867 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -129.64 77.11 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 75.12 110.864 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -88.46 106.96 18.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 62.32 110.911 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.75 58.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 75.45 110.877 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 23.3 m -112.07 156.02 22.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 75.04 110.855 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -51.75 160.85 0.99 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.686 0.755 . . . . 73.24 110.91 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 179.54 3.6 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.759 2.306 . . . . 72.13 112.353 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.3 m120 59.51 25.22 14.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 70.15 110.88 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -132.8 -177.36 4.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 62.51 110.919 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.8 tptm -154.47 107.95 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.1 110.854 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 t -56.03 133.26 51.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.945 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.6 t -106.68 111.67 24.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 34.44 110.843 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.3 m -70.09 -13.95 62.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 74.32 110.845 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -66.56 -59.1 3.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 73.31 110.89 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.23 11.57 31.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.855 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.8 mt 51.5 40.9 27.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 71.4 110.926 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -134.05 152.0 51.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 70.15 110.883 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.4 m -69.7 108.89 4.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 65.15 110.866 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -90.01 174.56 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 75.53 110.897 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -80.11 135.71 36.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.042 0.448 . . . . 74.12 110.859 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -63.6 -25.77 68.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 74.42 110.901 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.4 mm -96.78 139.8 18.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 74.33 111.132 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.2 m95 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.21 -0.45 . . . . 73.23 110.98 179.9 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.811 0.339 . . . . 44.14 110.829 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -128.13 90.05 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 63.53 110.861 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -104.34 101.94 11.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 74.34 110.888 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.5 p -80.28 155.5 27.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 75.11 110.89 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.7 mt -70.9 179.97 2.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 74.35 110.977 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -102.33 179.3 26.94 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 64.11 112.476 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.2 p90 -73.09 -33.34 65.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 63.31 110.953 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.51 30.32 2.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 64.32 111.117 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -106.54 165.42 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 53.42 110.88 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 31.4 mtt85 -90.64 159.91 16.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.066 -0.516 . . . . 72.1 110.922 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.3 p -174.11 178.99 1.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 75.14 110.88 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -132.94 160.55 68.19 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.681 0.753 . . . . 64.52 110.852 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 -19.04 36.31 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.677 2.251 . . . . 74.03 112.398 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -94.85 -33.86 12.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 72.32 110.96 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -126.73 64.6 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 75.12 110.859 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -86.9 107.17 18.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 62.32 110.815 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.56 56.65 0.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 75.45 110.904 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 m -111.63 156.0 22.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 75.04 110.9 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.7 m -52.03 160.64 1.13 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.686 0.755 . . . . 73.24 110.863 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.72 177.59 5.4 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.688 2.259 . . . . 72.13 112.356 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 63.25 29.1 15.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 70.15 110.811 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -142.14 173.0 11.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 62.51 110.871 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -141.39 117.48 10.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.102 -0.499 . . . . 73.1 110.856 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 3.9 t -63.7 119.3 9.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.501 . . . . 75.22 110.878 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 32.7 t -89.62 113.56 25.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 34.44 110.884 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -70.06 -13.09 62.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 74.32 110.88 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -67.25 -59.11 3.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 73.31 110.892 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.21 12.4 28.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 74.32 110.953 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.2 mt 51.42 39.75 25.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 71.4 110.893 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.05 150.24 51.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 70.15 110.894 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.4 m -69.99 111.4 5.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 65.15 110.927 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -89.95 177.26 6.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 75.53 110.926 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -81.3 131.87 35.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 74.12 110.939 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.9 tmtt? -60.4 -25.89 66.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.156 -0.474 . . . . 74.42 110.903 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.0 mm -98.68 131.72 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 74.33 111.183 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.88 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.526 0.03 0 CA-C-O 120.867 0.365 . . . . 44.14 110.932 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -105.51 45.91 0.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.027 -0.533 . . . . 63.53 110.833 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -93.15 97.14 10.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.171 -0.468 . . . . 74.34 110.843 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.9 p -118.24 154.32 32.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 75.11 110.924 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.1 mt -79.71 171.4 15.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 74.35 110.937 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -92.87 171.97 33.48 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.751 -0.738 . . . . 64.11 112.453 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -63.44 -32.51 73.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.807 0.337 . . . . 63.31 110.913 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -98.52 36.94 1.54 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 64.32 111.121 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.1 m -111.85 168.91 9.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 53.42 110.812 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -97.62 160.14 14.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.1 110.874 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -173.53 175.46 3.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 75.14 110.914 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.2 m -130.16 160.47 65.34 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.642 0.734 . . . . 64.52 110.869 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -18.72 36.93 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.688 2.259 . . . . 74.03 112.387 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -88.97 -38.06 14.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 72.32 110.87 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -128.43 71.11 1.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 75.12 110.879 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -87.08 107.02 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 62.32 110.8 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.89 59.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 75.45 110.902 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.7 m -112.02 156.14 22.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 75.04 110.87 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -51.67 161.06 0.92 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.649 0.738 . . . . 73.24 110.853 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 178.19 4.82 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 72.13 112.302 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.0 m120 59.98 23.47 12.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 70.15 110.814 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -130.55 -176.95 4.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 62.51 110.919 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -153.48 114.09 4.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 73.1 110.82 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.72 132.34 53.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 75.22 110.909 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 30.6 t -105.15 112.14 25.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 34.44 110.877 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -70.2 -13.21 62.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 74.32 110.869 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -67.03 -59.18 3.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.31 110.867 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.77 11.88 29.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 74.32 110.874 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 95.9 mt 51.5 40.55 27.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 71.4 110.847 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -133.99 152.43 51.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 70.15 110.884 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.8 m -73.16 112.84 9.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 65.15 110.87 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -90.03 178.1 6.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.53 110.913 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -88.18 142.36 27.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.959 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.4 ttpt -93.48 -25.76 17.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 74.42 110.863 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.495 ' H ' HD12 ' A' ' 35' ' ' ILE . 4.9 mp -72.29 134.05 30.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 74.33 111.089 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 5.2 p90 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 73.23 110.921 179.895 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.7 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.873 0.368 . . . . 44.14 110.835 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.05 128.23 35.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 63.53 110.875 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -79.19 92.92 5.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 74.34 110.883 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.6 p -61.18 167.95 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 75.11 110.903 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.4 mt -84.12 178.82 7.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 74.35 110.965 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -101.37 173.58 24.17 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.722 -0.751 . . . . 64.11 112.497 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 8.2 p-90 -72.1 -32.11 66.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.746 0.308 . . . . 63.31 110.895 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.48 27.32 3.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 64.32 111.108 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.7 m -104.14 162.76 12.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.427 . . . . 53.42 110.844 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.02 154.84 19.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 72.1 110.853 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 p -169.41 175.08 5.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 75.14 110.919 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.56 160.27 65.34 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.672 0.748 . . . . 64.52 110.893 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -25.27 28.93 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.685 2.256 . . . . 74.03 112.4 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -84.46 -37.24 21.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.437 . . . . 72.32 110.884 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -128.48 71.79 1.41 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 75.12 110.94 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -95.99 115.11 26.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 62.32 110.84 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -124.86 58.05 1.26 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 75.45 110.857 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.2 m -110.73 155.71 22.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 75.04 110.929 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.33 160.61 1.23 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.656 0.741 . . . . 73.24 110.808 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 178.71 4.24 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.706 2.271 . . . . 72.13 112.384 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 63.04 26.94 15.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 70.15 110.888 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -136.44 179.44 6.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.196 -0.456 . . . . 62.51 110.884 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -147.65 108.12 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 73.1 110.849 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 5.3 t -59.85 108.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 75.22 110.951 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.5 t -81.13 113.67 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 34.44 110.824 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -70.17 -17.51 63.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.509 . . . . 74.32 110.874 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.22 -59.13 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 73.31 110.89 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.26 9.95 35.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.848 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 22.6 mt 51.57 40.58 27.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 71.4 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -134.09 150.39 51.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 70.15 110.948 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.8 m -69.55 110.57 4.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 65.15 110.931 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -90.03 177.97 6.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 75.53 110.889 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -85.35 140.67 30.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 74.12 110.953 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -87.83 -25.8 23.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.883 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.3 mt -53.66 134.37 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 74.33 111.133 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 4.2 t90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 73.23 110.919 179.915 . . . . . . . . 0 0 . 1 stop_ save_