data_2rno_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 2rno _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.71 -21.47 66.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.054 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -78.52 -42.68 28.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 tt -69.79 -40.52 75.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.0 t -70.22 -50.86 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -61.51 -37.64 84.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.5 m -73.11 -52.56 13.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.8 m -60.03 -41.33 92.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -53.73 26.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.35 -48.6 55.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -68.95 -55.55 10.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -42.43 36.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.35 -43.72 73.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -71.37 -13.79 61.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -98.95 135.29 40.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -52.29 173.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt -50.07 -25.52 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.55 -49.31 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -54.03 -55.12 30.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -62.28 -32.19 72.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.53 -51.76 68.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -41.12 98.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.9 mt -63.49 -57.98 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -27.08 68.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.34 -46.83 72.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -70.92 -32.8 69.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.781 0.324 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -70.55 -50.77 34.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -48.71 67.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.46 -54.22 46.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.438 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.3 mt -50.54 -50.2 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -31.41 71.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -47.73 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.57 -57.58 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 13.1 mt -56.7 -42.29 78.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.02 -21.61 65.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -80.81 -42.53 21.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.439 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 5.6 mt -86.27 -6.76 58.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.8 m -110.34 -53.23 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.01 -7.64 53.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.939 0.399 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.13 -179.86 3.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -53.14 -39.42 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -54.56 -45.18 73.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.56 -54.3 25.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 93.2 t -54.37 -44.3 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.29 73.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -62.1 -50.01 73.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.93 -52.64 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.6 t -52.02 -40.85 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.13 -46.05 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -60.61 -34.77 74.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -39.14 70.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.48 -52.28 41.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -36.11 81.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -78.93 -24.26 44.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.8 ttp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 179.886 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.1 -21.35 66.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.7 -42.17 29.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tt -70.0 -40.05 75.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.97 -52.06 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -59.75 -40.99 89.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.8 m -69.68 -47.3 63.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.8 m -60.66 -40.15 91.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -54.63 22.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -51.1 -48.97 61.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.85 -54.01 22.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.17 -43.78 52.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.44 -38.22 77.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -73.07 -17.56 61.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -99.27 135.63 40.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -52.88 173.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mt -50.01 -25.85 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.14 -49.96 30.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -54.59 -54.64 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.412 HD22 HG13 ' A' ' 39' ' ' ILE . 1.8 mp -62.14 -32.01 72.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -60.0 -48.88 79.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.84 -38.15 82.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 58.3 mt -65.14 -54.11 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -33.06 74.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.56 -42.47 95.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -77.22 -31.61 55.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.765 0.317 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -71.44 -52.09 20.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.11 -46.47 65.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.27 -55.54 20.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.441 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -51.28 -55.07 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.3 -30.33 70.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -69.13 -49.0 60.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.8 t -58.27 -55.71 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 7.9 mt -59.01 -37.95 78.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.1 66.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -79.12 -44.55 21.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.462 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 8.0 mt -80.9 -10.09 59.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.0 m -108.86 -63.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -10.43 59.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.76 -177.6 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -32.18 7.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -48.01 82.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.85 66.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.71 -45.94 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.26 -24.61 61.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -66.84 -49.42 65.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.9 mm -73.46 -39.02 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.8 t -64.84 -39.13 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -72.59 -48.89 36.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -63.75 -37.56 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.5 m -75.04 -35.51 61.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -75.25 -34.93 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -78.78 -34.78 45.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -34.91 52.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.7 ttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 179.854 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.894 0.378 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.4 -21.83 64.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.66 -42.22 35.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tt -70.08 -40.39 75.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.07 -52.15 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 t -60.09 -42.3 94.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.1 m -68.41 -42.05 79.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 m -62.44 -44.01 97.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -55.47 21.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -50.97 -51.71 49.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -52.67 57.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.19 -43.98 61.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.69 76.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.108 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -80.18 -12.98 59.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -97.93 5.88 48.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? 64.25 -167.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mt -64.53 -24.65 36.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -49.53 18.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -53.64 55.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mt -57.96 -39.83 79.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -46.01 82.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -42.17 99.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mm -62.49 -57.36 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.68 -32.83 69.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -43.75 93.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -68.47 -38.17 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.752 0.31 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -71.18 -52.12 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -49.26 76.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 mt -59.68 -54.76 42.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mt -51.04 -51.41 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -58.07 -32.51 68.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -52.28 49.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.4 t -53.71 -53.77 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.31 -36.04 76.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.43 -29.99 71.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.89 -49.94 16.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mt -74.89 -10.05 59.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.9 m -108.25 -70.49 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -12.44 61.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.911 0.386 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.84 -178.84 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.72 -33.62 16.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -47.73 82.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.23 -52.78 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.9 t -54.94 -43.14 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.75 -30.07 67.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -65.1 -47.9 75.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.9 mm -70.3 -39.78 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 t -61.37 -41.25 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.84 -49.62 44.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -41.51 98.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.8 m -63.27 -47.46 82.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -50.54 66.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -42.71 71.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -77.25 -25.7 51.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 44.6 ttm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.848 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.23 -34.39 65.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -80.06 -37.51 33.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.23 -41.62 76.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.3 t -72.53 -50.91 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.17 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t -59.5 -39.62 84.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.2 p -72.06 -51.74 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 m -58.94 -40.55 84.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -54.72 23.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -51.64 -46.81 63.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -68.77 -55.75 10.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.8 -41.64 57.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.92 80.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -76.1 -11.57 59.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -98.3 135.77 39.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -56.37 -179.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mt -53.43 -23.88 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.71 -49.94 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -56.89 15.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.8 -33.52 68.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -48.06 83.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.88 -41.4 99.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.6 mm -65.92 -57.5 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -26.39 66.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -47.76 58.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -69.78 -27.53 64.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -71.43 -52.05 20.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -47.91 63.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.12 -51.77 66.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.426 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 4.7 mt -50.72 -51.56 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.29 -34.61 76.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -65.94 -44.37 85.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -61.07 -58.04 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 13.3 mt -53.24 -40.3 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.06 -27.85 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.91 -43.71 29.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.439 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 14.1 mt -78.52 -14.15 59.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.4 m -104.22 -67.15 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -13.06 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.876 0.37 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.59 179.7 4.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -51.63 -46.11 63.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.91 -41.23 61.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.53 -54.12 22.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.59 -47.22 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.71 -28.95 66.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -64.08 -51.45 63.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.3 mm -66.9 -53.32 35.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.5 t -53.9 -39.58 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -63.97 -49.18 73.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -57.53 -43.02 84.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -52.02 66.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -46.42 87.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.76 -42.45 68.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -79.06 -26.02 43.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.7 ttm . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.852 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.842 0.353 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.89 -25.73 66.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.92 -43.13 36.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.95 -39.84 75.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.8 t -70.13 -52.11 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -60.42 -40.42 90.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.1 t -69.77 -48.22 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 m -60.35 -42.0 94.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -54.17 35.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -50.87 -50.26 57.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -55.96 12.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.01 -42.76 39.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.42 -39.39 77.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -76.19 -11.78 59.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -102.07 135.22 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -52.27 173.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.99 -24.91 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.08 -51.1 18.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -56.07 -54.52 44.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 38' ' ' LEU . 1.1 mp -60.49 -31.35 70.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.08 -48.1 83.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -42.07 95.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -63.32 -57.54 11.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -32.14 70.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -43.62 97.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -70.49 -34.75 72.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.796 0.331 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -71.01 -44.2 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -45.22 81.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 89.9 mt -61.15 -58.07 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.3 mp -51.5 -54.49 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.43 -30.53 70.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -52.53 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.4 t -53.46 -55.33 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 5.7 mt -59.83 -36.07 76.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.29 -31.65 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 mt -75.38 -50.28 16.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.72 -11.63 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.9 m -107.1 -73.02 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -14.43 59.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.902 0.382 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.2 159.2 38.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -53.84 -34.7 60.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -63.95 -40.35 96.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.58 -53.55 40.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.78 -45.32 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.85 -28.23 65.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -63.86 -50.56 68.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.0 mm -67.85 -51.68 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.3 t -53.66 -40.06 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -66.87 -45.77 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.32 -39.94 80.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -45.2 75.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -64.92 -31.2 72.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.4 -46.23 49.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -37.84 85.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.4 ttp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.867 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.869 0.366 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.15 -21.43 66.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -77.4 -43.78 31.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.81 -41.7 74.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.05 -51.21 51.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -61.62 -38.25 86.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.9 t -72.71 -53.16 12.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 56.1 m -60.09 -38.25 82.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -53.54 24.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -52.07 -44.71 64.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -60.34 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.78 -40.41 28.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.08 68.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -75.4 -7.57 54.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -98.97 136.56 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -52.84 174.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 mt -50.57 -24.75 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.29 -49.37 23.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -56.8 -56.04 26.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.13 -40.45 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -42.73 93.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -62.97 -41.97 99.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.6 mm -62.24 -57.44 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -31.88 70.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -45.23 86.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -68.24 -35.85 78.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 tp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.686 0.279 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -71.68 -45.91 60.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -46.59 89.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.75 -56.92 11.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.455 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -51.22 -49.29 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.67 -31.8 73.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.48 -46.71 63.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.85 -57.52 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 19.7 mt -57.26 -42.55 81.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.58 -22.26 66.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -81.51 -43.66 18.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.445 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 5.3 mt -84.84 -5.59 59.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 78.9 m -112.65 -55.91 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.43 -7.52 58.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.914 0.388 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.36 -177.95 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.9 -30.46 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -49.03 75.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.92 -52.1 52.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.7 t -56.09 -46.08 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.4 -23.97 60.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -67.4 -49.87 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.3 mm -74.14 -39.31 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.14 -40.35 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -72.76 -44.02 62.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -66.85 -44.82 80.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.2 m -67.18 -39.08 86.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -73.17 -51.46 17.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -58.45 -37.81 76.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -24.97 37.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.852 0.358 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.92 -26.09 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.94 -43.51 35.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tp -69.4 -41.72 76.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.2 t -67.97 -51.58 47.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m -61.42 -37.84 84.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 64.1 m -73.11 -52.97 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.7 m -59.62 -39.75 85.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -53.77 24.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -50.98 -48.33 61.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.15 -57.9 5.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.17 -41.19 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.4 -40.85 81.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -76.42 -12.74 60.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -98.55 134.41 41.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -54.17 176.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mt -51.5 -24.75 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.62 -49.31 27.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.89 -56.96 13.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -32.25 70.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -47.62 84.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -40.34 95.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.06 -57.23 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -26.45 66.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.17 -43.8 64.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -76.54 -24.84 53.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.678 0.275 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.6 -55.16 25.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -48.95 63.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.9 mt -55.58 -52.28 64.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.42 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.3 mt -51.25 -54.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.43 -26.61 67.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -50.15 60.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.3 -54.35 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 11.1 mt -57.36 -39.43 75.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.37 -24.88 63.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.82 -44.91 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.475 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 8.5 mt -80.1 -11.75 59.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.5 m -106.59 -65.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.65 -11.68 60.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.888 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.899 0.38 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.45 -178.97 5.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.89 -36.11 36.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.07 -45.09 93.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.87 -53.58 48.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.4 t -54.34 -43.32 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.62 -31.7 69.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -64.05 -50.39 68.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.4 mm -66.97 -52.53 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.2 t -52.18 -41.14 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -66.7 -42.37 86.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.12 -48.48 78.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -51.07 71.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -46.07 85.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -51.88 -46.61 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -79.68 -25.01 41.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.06 -31.74 66.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.55 -39.85 44.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.64 -41.17 75.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.1 t -71.78 -52.04 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -58.28 -40.95 83.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.2 m -70.26 -50.69 37.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.0 m -58.65 -44.47 90.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -54.05 45.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.18 -44.37 61.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -59.25 3.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.47 -41.22 39.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.39 79.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -76.53 -11.61 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -94.64 133.37 38.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -52.51 173.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -50.3 -25.96 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -49.55 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.32 -54.33 46.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mp -54.51 -39.69 67.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -46.24 89.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -43.68 86.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -62.25 -57.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -31.6 69.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -46.27 83.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -67.18 -35.44 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.724 0.297 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -71.99 -47.98 48.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -49.62 77.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.8 -56.47 20.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.441 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 3.1 mt -51.52 -50.21 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -58.64 -32.0 68.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -47.29 67.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.8 t -58.35 -57.54 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 13.2 mt -57.15 -43.08 82.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.39 -21.46 66.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.436 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -81.26 -42.25 20.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.436 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 4.3 mt -87.77 -4.91 58.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.7 m -112.55 -49.43 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.89 -5.58 44.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 1.9 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.912 0.387 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.35 -179.65 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.79 -30.45 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -65.32 -47.55 76.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.85 -52.71 55.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.8 t -55.35 -45.17 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.19 -28.63 64.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -64.36 -49.52 71.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.8 mm -71.13 -40.09 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.25 -41.67 84.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -71.31 -49.37 43.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.66 -40.72 93.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.6 m -67.49 -42.21 83.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.21 -52.4 48.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -59.16 -36.88 76.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -22.71 41.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 ttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.871 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.4 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.02 -21.43 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -79.04 -41.96 27.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tt -70.02 -39.42 75.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.7 t -71.9 -52.22 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -59.18 -41.77 89.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.1 t -68.84 -46.92 67.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 m -61.44 -39.96 92.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -54.98 21.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -51.42 -50.75 59.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -57.62 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.31 -41.34 38.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.62 -35.54 77.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -81.25 -11.22 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -102.73 139.29 38.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -50.75 170.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mt -52.66 -22.6 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -49.59 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.33 -53.62 55.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.44 -31.31 67.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.418 ' HA ' HD23 ' A' ' 24' ' ' LEU . 1.7 tttm -68.42 -45.62 72.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -62.59 -39.47 93.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -67.57 -57.75 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -59.54 -26.32 65.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.83 -45.97 39.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -68.79 -28.62 66.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.8 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.689 0.28 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -70.45 -48.11 57.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -48.19 82.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.9 mt -58.93 -56.21 25.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.41 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -52.12 -53.69 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -57.34 -30.07 64.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -49.42 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.8 t -57.41 -55.59 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 6.7 mt -59.52 -38.24 80.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.73 -25.73 67.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -79.74 -44.55 20.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.468 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 6.7 mt -81.6 -6.83 59.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.5 m -112.74 -63.02 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -10.54 59.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 2.3 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 p -139.84 179.76 6.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -51.92 -34.7 42.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -46.31 89.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.53 -51.05 67.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.2 t -55.71 -47.25 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.44 -28.65 66.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -49.67 74.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.3 mm -72.32 -34.47 49.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.6 t -59.12 -47.1 91.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -74.06 -39.45 63.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -51.8 65.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.3 m -66.85 -38.41 86.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -66.91 -53.69 29.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -59.33 -34.35 72.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.53 -24.17 36.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.887 0.375 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.73 -20.97 66.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -77.36 -45.0 27.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -41.27 75.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.0 t -67.78 -51.55 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 t -61.69 -38.25 87.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.0 m -72.33 -52.44 16.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.2 m -60.12 -40.58 90.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -54.27 26.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -51.08 -46.03 61.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -69.31 -52.02 31.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.08 -41.74 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.92 -43.37 75.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -72.79 -14.8 61.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -97.47 132.16 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -50.96 170.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mt -50.27 -25.34 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.83 -49.46 29.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -58.3 -52.89 63.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.25 -32.92 71.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HA ' HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -65.01 -47.73 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.85 -41.21 97.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.1 mt -65.72 -58.06 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -59.47 -26.37 65.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.27 -44.37 59.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -75.38 -22.52 57.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.3 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.735 0.302 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -52.15 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.99 -47.74 82.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mt -58.52 -54.61 45.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.407 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -51.55 -49.58 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.83 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -59.37 -32.95 70.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -47.31 69.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -58.25 -57.03 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 8.1 mt -57.03 -39.38 74.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.64 -25.16 65.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -79.09 -44.34 22.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.467 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 8.2 mt -80.88 -10.21 59.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.5 m -108.25 -63.64 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.17 -10.45 59.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.912 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.868 0.366 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.67 -179.44 5.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -50.86 -37.12 41.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -42.62 99.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.79 -53.47 46.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.9 t -54.56 -45.3 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.4 -30.96 69.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -62.1 -50.31 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.2 mm -67.12 -51.92 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.8 t -52.74 -39.33 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.7 -44.43 77.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -51.73 68.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -42.45 94.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -67.12 -45.61 76.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -45.5 77.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -79.33 -23.46 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.8 ttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.881 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.868 0.366 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.47 -32.54 66.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -78.0 -40.22 39.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.23 -41.84 76.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.1 t -70.83 -51.85 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 m -58.77 -40.43 83.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.1 m -71.22 -48.98 48.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.6 m -60.0 -44.41 94.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -54.34 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -50.51 -49.76 54.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -53.43 39.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.98 -43.2 60.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.36 82.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -73.18 -19.3 61.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -97.71 132.45 43.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -51.87 171.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt -51.34 -24.85 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -47.82 -49.74 28.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.83 -53.07 61.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -58.5 -31.58 68.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.415 ' HA ' HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.59 -47.72 68.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.824 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -41.67 97.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.6 -58.42 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -60.23 -26.98 66.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -46.53 65.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -68.9 -30.66 69.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.769 0.319 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -71.67 -47.24 55.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -48.97 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.75 -57.06 12.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.429 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -51.52 -50.26 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.837 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -60.56 -32.74 71.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -47.27 68.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.4 t -59.32 -57.56 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 10.8 mt -57.51 -37.33 72.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.49 -27.54 67.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.053 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -78.04 -44.96 24.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.47 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 10.7 mt -78.49 -11.87 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.5 m -106.99 -67.23 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.27 -12.12 61.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -178.2 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -49.5 -31.02 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.37 -45.01 73.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.39 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.7 -43.61 79.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.3 -25.84 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -48.7 70.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.3 mm -75.38 -40.68 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 t -62.82 -41.93 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.59 -49.27 33.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -60.78 -39.7 89.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.4 m -69.7 -42.72 73.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -67.94 -52.52 35.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -58.77 -45.96 88.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -32.93 73.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.1 mtp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 179.928 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.33 -21.23 66.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.71 -43.54 30.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.5 tt -69.76 -41.57 75.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.8 t -68.37 -51.44 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -61.55 -38.55 87.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.6 t -72.07 -50.39 28.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.4 m -61.32 -40.05 92.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -54.74 19.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.88 -48.65 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -58.49 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.34 -42.65 42.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.23 -38.58 85.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -74.77 -18.38 60.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -91.33 143.48 26.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -66.43 177.36 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.66 -26.59 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.57 -49.45 46.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -60.83 -58.07 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.27 -30.85 62.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -49.72 66.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -60.42 -41.26 93.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.3 mt -64.4 -57.73 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -32.75 69.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -44.54 86.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -68.36 -32.27 72.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.6 tp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 180.0 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.785 0.326 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -50.63 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.54 -47.15 73.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.4 mt -56.62 -56.52 20.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.41 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -52.62 -54.22 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.784 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.07 -31.97 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -46.09 59.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.5 t -57.25 -57.52 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 6.7 mt -58.22 -40.91 82.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.94 64.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -80.61 -44.86 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.457 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 7.2 mt -81.68 -8.46 59.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 m -110.5 -61.99 1.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -9.32 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.88 -178.51 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -49.07 -30.94 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.71 -51.01 71.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.83 -51.7 56.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.5 t -56.3 -46.27 81.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.09 -26.03 61.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -65.16 -49.92 67.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.0 mm -72.66 -40.76 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.08 -38.37 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -71.24 -48.54 50.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.0 -43.37 92.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.6 m -62.03 -48.98 77.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.69 -47.91 65.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.71 -43.27 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -79.43 -25.25 42.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.9 tpp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.888 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.896 0.379 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.27 -21.85 66.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.88 -43.11 31.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 tt -69.87 -41.3 74.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.01 -51.5 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -60.87 -39.28 88.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.5 m -71.59 -52.56 17.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 m -59.85 -39.39 85.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -54.07 29.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -51.75 -47.49 64.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -60.38 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.44 -43.21 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.38 77.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -72.29 -16.89 61.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -96.0 136.32 36.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -55.36 178.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mt -52.34 -24.86 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -48.28 37.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -58.25 -55.47 34.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.36 -51.89 66.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -48.11 73.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.66 -49.68 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.3 mt -67.91 -59.48 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.14 -27.79 6.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.61 -46.16 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -63.62 -37.21 86.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.715 0.293 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -71.74 -45.48 61.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -48.1 83.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.6 mt -62.92 -55.37 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.409 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.9 mt -51.66 -55.42 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -56.69 -33.89 66.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -55.38 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 t -53.98 -50.75 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 15.8 mt -55.07 -37.85 67.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.18 87.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' A' ' 49' ' ' GLU . 10.8 mp -56.47 -52.31 65.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mt -73.62 -25.25 60.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.9 m -80.4 -69.55 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -20.06 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 4.2 mt-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.861 0.363 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.93 173.26 17.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -34.12 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.5 -45.06 92.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.14 -54.02 36.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.56 -44.97 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.89 -24.85 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -66.67 -48.84 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.6 mm -72.73 -39.23 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.04 -41.09 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -72.19 -49.15 37.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.16 -39.36 92.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.3 m -67.43 -46.45 73.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -63.89 -51.23 65.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -61.62 -34.75 76.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -78.29 -24.46 46.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 tpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.12 -22.44 65.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.072 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -78.37 -41.93 31.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.72 -40.35 76.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.0 t -70.38 -52.06 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 m -59.82 -41.2 90.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.5 t -69.4 -52.16 29.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.9 m -57.25 -41.64 80.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.85 -53.66 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -50.53 -52.35 39.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 tmpt? -65.87 -48.97 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.52 -44.35 65.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.58 -30.69 64.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -76.8 -18.48 58.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -104.28 143.05 33.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -56.36 -179.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mt -57.91 -22.59 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.13 -51.39 18.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -61.73 -50.95 70.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.05 -31.46 68.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.418 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.07 -51.32 55.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -59.21 -42.09 90.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.79 -58.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -61.19 -27.02 68.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -46.95 70.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -69.99 -34.62 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.725 0.297 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -71.71 -48.18 48.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -48.86 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.18 -56.8 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.432 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.2 mt -51.42 -50.58 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.47 -31.87 71.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -49.45 65.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.3 -56.65 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 7.7 mt -58.88 -35.13 72.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.61 -29.15 69.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.443 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.9 -44.45 27.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.443 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 9.4 mt -78.89 -11.9 60.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.0 m -107.5 -66.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -12.36 61.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.926 0.393 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.57 -177.17 4.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -49.06 -28.85 4.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -60.97 -51.53 68.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.53 -50.79 65.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.076 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.1 t -57.85 -47.29 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.16 -22.59 61.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -66.79 -48.78 67.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.7 mm -75.47 -39.97 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.44 -42.94 97.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.14 -48.73 27.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -52.03 67.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.2 m -61.28 -50.49 72.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -60.64 -42.32 96.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -69.87 -27.91 65.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -77.53 -38.84 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 14.5 ttp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.847 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 76.7 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.4 -21.23 66.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -77.22 -43.94 31.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -70.06 -41.58 73.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.22 -51.84 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 m -61.56 -40.3 94.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -70.13 -48.32 58.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 m -60.47 -41.2 93.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -54.6 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -51.35 -51.09 57.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -53.3 47.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.36 -43.44 61.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.96 85.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -75.88 -17.67 59.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -95.64 136.47 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 171.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mt -51.02 -25.24 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -47.83 60.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -54.72 -58.75 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -29.69 70.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -47.57 85.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -40.65 77.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.19 -55.86 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.47 -40.69 92.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -42.12 74.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -71.38 -40.51 70.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.736 0.303 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -68.57 -46.24 69.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.33 -43.84 71.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.15 -54.89 22.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.417 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.5 mp -50.93 -53.29 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -34.65 75.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.1 mmt-85 -65.85 -48.3 72.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.5 t -53.98 -52.02 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 7.7 mt -59.52 -41.51 90.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.81 -26.08 68.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.7 mt -75.66 -52.08 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mt -74.92 -9.88 58.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.0 m -107.54 -70.41 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -10.9 60.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.81 -179.88 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.51 -32.58 28.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.08 -49.23 78.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.68 -53.66 38.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.2 t -55.62 -45.8 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.5 -28.62 65.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -63.57 -50.64 68.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.1 mm -70.3 -51.88 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 56.3 t -52.71 -39.23 29.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -70.08 -44.53 68.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -39.99 82.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.7 -44.81 63.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -67.81 -29.24 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -53.25 8.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -62.05 -39.7 93.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.7 ttm . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.875 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.895 0.379 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.14 -34.01 68.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -79.05 -39.24 34.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -41.46 78.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 77.0 t -72.56 -50.4 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -59.99 -37.48 79.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.0 t -74.54 -52.7 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.8 m -58.44 -42.54 87.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -54.54 18.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -51.78 -45.48 63.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -57.58 4.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.7 -42.18 45.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.82 -40.43 75.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -74.33 -13.66 60.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -100.76 138.48 37.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -56.77 -178.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mt -52.29 -24.88 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -46.32 -50.17 16.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.33 -53.9 51.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt -58.99 -34.59 72.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -48.35 82.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -41.19 97.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.9 mm -65.6 -57.25 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -26.87 66.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -45.31 66.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -73.75 -27.39 61.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.733 0.302 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -70.38 -49.9 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -48.47 64.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 mt -61.31 -52.32 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.472 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.2 mt -50.32 -49.85 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -32.98 74.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -44.1 69.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -60.05 -58.5 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 9.8 mt -57.69 -38.81 75.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.37 -25.44 65.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.066 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -78.9 -44.75 22.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.452 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 8.8 mt -80.12 -11.08 59.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.3 m -107.47 -64.83 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -11.13 60.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.891 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.43 -175.05 2.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.71 -32.99 6.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.19 -48.69 80.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.6 -49.69 70.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.06 -44.82 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.11 -25.89 61.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -66.74 -48.92 67.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.5 mm -73.43 -38.52 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.36 -40.19 88.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -72.53 -48.6 39.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.13 -42.18 99.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.1 m -69.69 -39.69 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -70.77 -43.06 69.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -70.74 -30.21 66.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -40.93 47.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.5 ttm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.878 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.48 -30.42 53.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.83 -41.26 44.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.65 -42.5 74.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.9 t -67.8 -51.31 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -60.61 -40.54 92.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.2 t -71.23 -54.0 12.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 54.9 m -58.35 -39.84 80.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -53.1 49.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -49.89 -52.03 36.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -68.48 -42.57 78.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.17 -43.11 78.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.87 -41.85 70.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -74.02 -13.29 60.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -100.82 133.62 45.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -60.32 -169.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mt -62.81 -24.12 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -48.61 -48.65 39.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -66.83 -53.33 33.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mt -51.13 -53.88 30.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.03 -39.88 91.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.62 -52.33 55.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.8 mm -69.27 -34.37 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 mp -62.55 -58.84 6.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -57.09 -38.66 73.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -75.36 -19.88 59.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.733 0.301 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -72.81 -47.55 45.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -48.51 81.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.22 -58.17 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.406 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -52.87 -50.18 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -62.56 -28.36 69.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -66.94 -50.89 60.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.31 -54.17 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 26.3 mt -58.31 -36.42 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.71 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.21 -44.33 30.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.445 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 12.6 mt -78.43 -12.26 60.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.1 m -106.24 -67.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.73 -12.95 61.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.95 0.405 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.04 -178.17 4.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.0 -37.25 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -61.33 -41.72 97.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.6 -50.06 68.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.7 t -55.32 -47.58 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.01 -24.09 60.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -66.35 -49.11 68.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.0 mm -74.39 -40.59 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.22 -41.84 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -72.45 -48.49 40.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.11 -43.55 98.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.7 m -66.79 -43.36 84.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -67.09 -53.37 31.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -56.88 -36.13 69.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -80.79 -24.9 38.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.526 0.048 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.21 -21.68 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -77.65 -43.63 30.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 tt -69.93 -41.2 74.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.1 t -68.67 -51.14 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -61.56 -38.1 86.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.4 p -72.71 -52.76 13.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.3 m -60.14 -40.02 88.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -54.05 24.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -50.93 -47.01 61.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.13 -52.48 23.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -42.81 62.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.42 -43.89 72.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -70.65 -14.52 62.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -100.98 136.51 40.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -53.93 176.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 mt -52.02 -24.37 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.02 -50.85 14.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.48 -55.54 33.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 mp -54.29 -53.61 51.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -45.47 20.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.79 -43.58 90.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.3 mm -56.97 -53.09 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -50.19 72.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -47.46 -34.88 7.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -77.0 -37.13 55.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.768 0.318 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -55.39 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -46.21 79.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mt -58.64 -52.55 65.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.414 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.1 mt -51.23 -50.25 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -58.92 -34.63 71.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -45.44 77.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.79 -54.96 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 11.5 mt -58.38 -37.47 75.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.83 -26.45 66.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -78.61 -43.87 25.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.444 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 10.0 mt -80.13 -11.53 59.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.6 m -106.68 -64.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -11.83 60.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.905 0.383 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.78 -175.8 5.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.42 -31.07 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -58.89 -49.85 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.03 -51.48 54.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.076 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.7 t -55.42 -47.15 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.5 -27.23 63.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -63.53 -51.05 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.3 mm -70.87 -52.06 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.1 t -51.82 -40.53 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.53 -45.88 67.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.49 -52.51 65.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -43.07 98.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -65.85 -32.5 74.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -52.64 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -60.91 -45.02 96.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.3 tmm? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.868 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.17 -31.88 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.33 -39.15 40.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tt -68.91 -39.8 79.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -72.68 -51.82 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -58.96 -42.0 88.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 97.4 p -68.47 -54.73 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 m -52.66 -39.35 61.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -49.15 65.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -54.36 28.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.06 -47.62 76.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.88 -41.73 71.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.5 -41.09 80.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -69.0 -20.49 64.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -95.44 132.6 40.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -54.35 176.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.7 mt -55.14 -23.47 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.09 -49.27 42.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -63.26 -58.78 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mp -54.4 -30.62 52.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HA ' HD22 ' A' ' 24' ' ' LEU . 7.8 tptm -68.12 -56.04 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -54.31 -42.18 69.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.6 mm -64.4 -50.03 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -66.69 -26.25 66.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' HB3' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -76.6 -37.95 55.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -78.78 -29.41 44.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.6 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.684 0.278 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -51.31 53.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.05 -48.9 75.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.1 mt -56.78 -53.97 51.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.418 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -50.87 -54.8 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -28.72 68.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -52.55 55.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.2 t -57.72 -52.9 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 11.1 mt -56.1 -38.66 71.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.67 71.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.9 mt -75.24 -49.78 18.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 mt -73.39 -12.31 60.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.0 m -106.14 -72.66 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.25 -14.21 60.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.867 0.365 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -131.55 -179.65 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -51.02 -40.16 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -42.5 94.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.2 -51.31 61.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.7 t -52.84 -51.0 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.14 -25.46 62.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -49.95 70.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.1 mm -67.71 -53.45 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.3 t -56.07 -35.0 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.1 -49.76 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.08 -40.07 90.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 m -61.63 -48.25 81.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -42.89 80.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -49.34 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.42 -25.91 41.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.857 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.46 -25.41 65.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.053 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -75.55 -44.35 43.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tp -70.19 -39.94 74.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.1 t -67.49 -51.36 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -63.75 -36.65 84.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.2 m -72.98 -52.75 13.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 55.7 m -60.3 -43.63 96.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -54.41 24.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -51.25 -47.55 62.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -59.49 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.81 -42.71 26.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.52 -41.72 79.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -71.59 -16.64 62.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -95.51 134.12 38.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -53.0 173.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.5 mt -49.88 -25.48 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -50.22 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -56.94 -55.2 37.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mp -59.97 -30.9 69.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HA ' HD21 ' A' ' 24' ' ' LEU . 1.3 tptt -64.36 -47.71 78.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -62.73 -41.04 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.2 mt -64.99 -57.59 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.404 HD21 ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -59.54 -28.25 66.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -42.22 72.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -78.82 -19.89 51.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.5 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.711 0.291 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -70.6 -52.21 23.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.16 -45.19 61.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.8 mt -63.54 -54.93 28.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -51.4 -55.1 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -59.67 -31.93 70.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -50.33 65.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.3 t -55.84 -54.21 29.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 6.7 mt -61.93 -30.25 70.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.23 -53.43 55.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.102 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 6.4 mp -69.51 -41.46 76.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -23.35 64.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.4 m -103.26 -76.2 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.36 -23.89 6.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 1.4 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.896 0.379 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.94 178.85 4.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -32.81 32.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.39 -42.64 87.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.9 -53.38 47.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.1 t -55.93 -46.35 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.94 -28.41 65.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -50.68 67.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.1 mm -66.98 -51.94 49.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.95 -42.1 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -65.48 -43.66 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.12 -37.19 81.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -43.9 77.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -52.91 42.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -59.1 -38.67 80.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -21.03 44.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.1 25.97 10.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 110.855 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 61.42 47.83 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 13.5 mtm -145.28 83.42 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -114.26 -12.29 12.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p -49.95 -54.5 19.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.71 -21.47 66.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.054 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -78.52 -42.68 28.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.8 tt -69.79 -40.52 75.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.0 t -70.22 -50.86 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -61.51 -37.64 84.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.5 m -73.11 -52.56 13.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.8 m -60.03 -41.33 92.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -53.73 26.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.35 -48.6 55.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -68.95 -55.55 10.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -42.43 36.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.35 -43.72 73.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -71.37 -13.79 61.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -98.95 135.29 40.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -52.29 173.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt -50.07 -25.52 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.55 -49.31 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -54.03 -55.12 30.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mp -62.28 -32.19 72.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.53 -51.76 68.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -41.12 98.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.9 mt -63.49 -57.98 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -27.08 68.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.34 -46.83 72.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -70.92 -32.8 69.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 mt -67.43 -33.18 74.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.07 27.23 6.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.424 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.2 mt -82.38 159.87 63.54 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.572 0.701 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 166.29 28.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 tmpt? -62.55 -24.26 67.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -173.12 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.13 91.65 2.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -58.41 174.38 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -38.72 55.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -70.55 -50.77 34.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -48.71 67.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.3 mt -61.46 -54.22 46.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.438 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.3 mt -50.54 -50.2 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -31.41 71.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -47.73 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.57 -57.58 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 13.1 mt -56.7 -42.29 78.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.02 -21.61 65.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -80.81 -42.53 21.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.439 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 5.6 mt -86.27 -6.76 58.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.8 m -110.34 -53.23 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.01 -7.64 53.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.426 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -133.42 21.35 3.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.467 ' NE2' ' H ' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -47.08 -27.95 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.467 ' H ' ' NE2' ' A' ' 50' ' ' GLN . . . 51.78 27.25 19.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -59.79 -24.82 64.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.916 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -118.23 22.28 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -146.55 56.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -102.08 172.51 6.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.18 43.17 0.44 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.7 -75.61 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.15 -48.88 4.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.78 19.09 9.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.386 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.86 25.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.445 ' ND2' ' C ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -84.49 6.03 25.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.8 m -66.19 -8.94 27.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.09 26.51 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -118.13 -179.86 3.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -53.14 -39.42 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -54.56 -45.18 73.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.56 -54.3 25.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 93.2 t -54.37 -44.3 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.29 73.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -62.1 -50.01 73.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.4 mm -65.93 -52.64 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 76.6 t -52.02 -40.85 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.13 -46.05 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -60.61 -34.77 74.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -39.14 70.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.48 -52.28 41.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.406 ' HA ' ' HA ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -62.61 -36.11 81.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -78.93 -24.26 44.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.8 ttp -69.86 -57.02 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -149.11 13.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.406 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 17.2 mt 69.23 -70.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 53.43 -174.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.0 t -100.52 48.5 0.91 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 66.52 136.1 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.565 0.698 . . . . 0.0 111.118 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -3.77 12.65 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.8 t0 66.01 34.0 7.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 tt -49.93 -43.08 49.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -179.47 -34.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.9 m 64.68 23.91 12.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.25 23.83 7.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.9 m -99.33 56.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -148.65 -75.16 0.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.01 129.35 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.97 105.26 2.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.97 14.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.814 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.71 -6.19 7.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.73 13.26 28.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.4 m -91.88 -170.07 2.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 62.26 44.78 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.37 157.03 1.29 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -171.69 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.673 2.249 . . . . 0.0 112.334 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -119.51 34.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.83 26.1 15.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 52.21 34.09 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 29.9 t -65.57 -73.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -151.63 45.99 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 27.9 mtm -146.08 83.78 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -116.29 -10.8 11.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 p -50.01 -54.91 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.1 -21.35 66.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.7 -42.17 29.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tt -70.0 -40.05 75.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.1 t -70.97 -52.06 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -59.75 -40.99 89.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.8 m -69.68 -47.3 63.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.8 m -60.66 -40.15 91.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -54.63 22.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -51.1 -48.97 61.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.85 -54.01 22.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -50.17 -43.78 52.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.44 -38.22 77.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -73.07 -17.56 61.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -99.27 135.63 40.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -52.88 173.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mt -50.01 -25.85 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.14 -49.96 30.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -54.59 -54.64 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.412 HD22 HG13 ' A' ' 39' ' ' ILE . 1.8 mp -62.14 -32.01 72.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -60.0 -48.88 79.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.84 -38.15 82.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 58.3 mt -65.14 -54.11 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -33.06 74.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -64.56 -42.47 95.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -77.22 -31.61 55.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 mt -67.41 -33.09 74.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.09 43.03 3.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -114.81 67.26 1.92 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.958 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.415 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 53.9 Cg_endo -69.75 -160.52 0.07 OUTLIER 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.309 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 9.2 mtmt 77.4 -57.01 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.79 -169.67 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.22 70.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.422 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.97 172.39 6.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -45.0 67.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -71.44 -52.09 20.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.11 -46.47 65.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.27 -55.54 20.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.441 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -51.28 -55.07 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.3 -30.33 70.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -69.13 -49.0 60.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.8 t -58.27 -55.71 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 7.9 mt -59.01 -37.95 78.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.1 66.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -79.12 -44.55 21.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.462 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 8.0 mt -80.9 -10.09 59.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.0 m -108.86 -63.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -10.43 59.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.72 23.43 4.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -20.93 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.25 48.25 76.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.455 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -94.82 37.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -139.81 -38.35 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -174.64 56.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -76.22 -170.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.64 30.45 0.97 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.93 -23.54 9.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.319 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.59 45.17 2.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -26.66 47.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.64 65.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.15 -4.49 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 m 50.9 45.59 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 pp -151.52 20.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.76 -177.6 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.66 -32.18 7.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -48.01 82.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.85 66.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.71 -45.94 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.26 -24.61 61.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -66.84 -49.42 65.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.9 mm -73.46 -39.02 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 13.8 t -64.84 -39.13 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -72.59 -48.89 36.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -63.75 -37.56 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.5 m -75.04 -35.51 61.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -75.25 -34.93 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -78.78 -34.78 45.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -34.91 52.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.7 ttm -78.77 -47.8 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.17 -43.73 32.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.4 mt 64.53 24.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -73.04 -169.48 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 31.2 m -83.44 55.53 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 66.56 127.19 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.597 0.713 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -2.93 11.01 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.648 2.232 . . . . 0.0 112.348 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.0 t0 69.09 55.73 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 43.4 tp -66.69 -10.89 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 67.21 25.1 9.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 m 62.91 16.68 9.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.26 25.71 6.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 m -92.45 43.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -117.19 -26.68 6.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 p -178.94 64.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.86 119.48 3.33 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 p -118.88 7.44 11.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.878 0.371 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.84 24.04 3.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.8 t80 61.89 19.8 10.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 m 62.88 51.02 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -98.81 54.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.61 160.5 0.75 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.613 0.72 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -171.27 0.45 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.32 32.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 51.37 38.89 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.98 84.79 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.075 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 1.2 t -176.34 -59.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -146.27 95.72 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 21.8 mtm -131.8 -77.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 66.33 13.51 9.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m -58.73 -57.08 14.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.4 -21.83 64.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.66 -42.22 35.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tt -70.08 -40.39 75.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.07 -52.15 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 t -60.09 -42.3 94.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.1 m -68.41 -42.05 79.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 m -62.44 -44.01 97.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -55.47 21.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -50.97 -51.71 49.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 -52.67 57.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.19 -43.98 61.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.69 76.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.108 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -80.18 -12.98 59.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -97.93 5.88 48.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? 64.25 -167.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mt -64.53 -24.65 36.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -49.53 18.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -53.64 55.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mt -57.96 -39.83 79.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -46.01 82.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -42.17 99.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.6 mm -62.49 -57.36 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.68 -32.83 69.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -43.75 93.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -68.47 -38.17 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -33.29 74.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.01 39.78 6.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 mp -129.6 59.78 47.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.581 0.705 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 77.12 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.738 2.292 . . . . 0.0 112.362 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.11 55.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.69 -173.91 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.47 -124.2 5.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.48 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.94 -173.02 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -48.12 -31.82 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -71.18 -52.12 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -49.26 76.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.2 mt -59.68 -54.76 42.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 mt -51.04 -51.41 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -58.07 -32.51 68.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -52.28 49.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.4 t -53.71 -53.77 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.31 -36.04 76.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.43 -29.99 71.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.89 -49.94 16.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 mt -74.89 -10.05 59.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.9 m -108.25 -70.49 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -12.44 61.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.06 23.94 5.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -16.48 25.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.79 30.18 8.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -93.86 21.71 6.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 110.922 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -82.78 -10.35 58.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -70.47 153.09 43.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -51.95 164.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.08 47.16 0.9 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.81 -72.02 0.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.907 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.98 -48.36 3.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -94.81 33.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 61' ' ' ASN . 1.7 ttpm? 66.31 35.39 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER 32.85 51.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 72.5 m -77.72 45.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.55 17.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.84 -178.84 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.72 -33.62 16.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -47.73 82.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.23 -52.78 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.9 t -54.94 -43.14 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.122 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.75 -30.07 67.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -65.1 -47.9 75.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.9 mm -70.3 -39.78 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.2 t -61.37 -41.25 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.84 -49.62 44.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -41.51 98.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.8 m -63.27 -47.46 82.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -50.54 66.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -42.71 71.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -77.25 -25.7 51.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 44.6 ttm -64.66 -57.53 8.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.24 24.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.0 mt 48.12 30.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.53 167.59 14.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 68.16 -78.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 49.33 66.32 5.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.56 0.695 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -7.65 21.59 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.679 2.252 . . . . 0.0 112.36 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 t70 64.19 74.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.1 tp -54.4 -24.03 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 64.65 24.72 13.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.1 m 58.67 21.8 9.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.04 24.03 7.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 m -97.91 88.22 4.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -174.11 32.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -176.67 144.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -100.36 -113.49 3.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.16 11.34 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.355 . . . . 0.0 110.846 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -120.63 -2.26 9.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.61 8.99 35.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 m -167.06 43.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -72.82 78.32 1.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -50.6 136.15 25.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -171.99 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.256 . . . . 0.0 112.341 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.07 34.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.27 -31.25 20.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 59.96 37.5 21.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 8.5 p -52.14 -74.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -96.12 43.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 10.3 mmt -151.75 89.11 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 1' ' ' SER . . . -87.83 18.02 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' -1' ' ' ALA . 0.3 OUTLIER 77.07 -6.9 1.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.23 -34.39 65.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -80.06 -37.51 33.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.23 -41.62 76.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 79.3 t -72.53 -50.91 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.17 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t -59.5 -39.62 84.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.2 p -72.06 -51.74 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 m -58.94 -40.55 84.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -54.72 23.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -51.64 -46.81 63.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -68.77 -55.75 10.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.8 -41.64 57.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.92 80.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -76.1 -11.57 59.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -98.3 135.77 39.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -56.37 -179.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mt -53.43 -23.88 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.71 -49.94 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.12 -56.89 15.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.8 -33.52 68.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.93 -48.06 83.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.88 -41.4 99.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 36.6 mm -65.92 -57.5 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -26.39 66.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.72 -47.76 58.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -69.78 -27.53 64.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 tp -69.55 -10.94 60.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 109.04 11.35 22.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 54.71 95.59 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.643 0.735 . . . . 0.0 110.9 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.58 52.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -47.21 -34.04 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -164.18 -175.15 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.65 97.78 0.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.25 -174.94 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.861 0.363 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -44.44 58.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -71.43 -52.05 20.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -47.91 63.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.12 -51.77 66.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.426 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 4.7 mt -50.72 -51.56 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.29 -34.61 76.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -65.94 -44.37 85.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -61.07 -58.04 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 13.3 mt -53.24 -40.3 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.06 -27.85 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.91 -43.71 29.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.439 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 14.1 mt -78.52 -14.15 59.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.4 m -104.22 -67.15 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -13.06 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -131.73 26.37 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.81 -24.3 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.67 45.61 74.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -55.39 -24.75 31.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -172.52 68.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.44 -42.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -146.42 72.75 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -123.47 64.96 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.53 -69.97 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.331 . . . . 0.0 110.932 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.19 -36.04 3.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -86.47 11.2 13.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.52 -36.4 13.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.504 ' N ' ' ND2' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -159.63 20.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.1 p 45.07 43.72 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 pp -126.71 7.45 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.59 179.7 4.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -51.63 -46.11 63.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.91 -41.23 61.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.53 -54.12 22.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.59 -47.22 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.71 -28.95 66.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -64.08 -51.45 63.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.3 mm -66.9 -53.32 35.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.5 t -53.9 -39.58 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -63.97 -49.18 73.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -57.53 -43.02 84.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.73 -52.02 66.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -46.42 87.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.76 -42.45 68.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -79.06 -26.02 43.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.7 ttm -64.09 -57.09 10.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.42 25.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.0 mt 48.55 29.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.57 153.21 21.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 51.17 43.17 29.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -111.52 73.83 1.12 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -6.07 17.68 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.4 t0 67.57 82.34 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.69 -24.86 6.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 66.42 31.83 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m 53.2 28.04 6.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.78 22.61 10.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 56.9 m -94.46 90.74 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.26 36.23 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.823 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.98 79.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -110.57 -98.75 2.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.1 p -179.54 28.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.892 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -125.8 -5.24 6.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.22 12.72 33.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -99.68 80.23 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.2 t80 51.98 49.22 21.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.13 108.01 0.88 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 95.09 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.27 32.65 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 51.57 38.96 23.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.36 84.63 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -168.49 -44.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.9 0.381 . . . . 0.0 110.846 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -176.53 93.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 61.3 mtm -151.84 62.22 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 47.64 42.74 15.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.2 t 178.4 -29.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.89 -25.73 66.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.92 -43.13 36.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.95 -39.84 75.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.8 t -70.13 -52.11 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -60.42 -40.42 90.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.1 t -69.77 -48.22 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 m -60.35 -42.0 94.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -54.17 35.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -50.87 -50.26 57.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -55.96 12.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.01 -42.76 39.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.42 -39.39 77.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -76.19 -11.78 59.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -102.07 135.22 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -52.27 173.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.99 -24.91 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.08 -51.1 18.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -56.07 -54.52 44.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 38' ' ' LEU . 1.1 mp -60.49 -31.35 70.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.08 -48.1 83.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.59 -42.07 95.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -63.32 -57.54 11.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -32.14 70.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -43.62 97.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -70.49 -34.75 72.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.84 -18.76 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.54 4.58 32.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 60.56 112.74 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.582 0.706 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -168.7 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.343 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -15.98 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -127.16 -174.74 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.57 19.02 0.44 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.407 ' HG3' ' HB2' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -79.4 151.02 31.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.895 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.35 -29.24 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -71.01 -44.2 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.407 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -66.32 -45.22 81.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.41 ' HB3' ' HB3' ' A' ' 20' ' ' LEU . 89.9 mt -61.15 -58.07 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.3 mp -51.5 -54.49 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.43 -30.53 70.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -69.44 -52.53 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.4 t -53.46 -55.33 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 5.7 mt -59.83 -36.07 76.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.29 -31.65 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 mt -75.38 -50.28 16.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.0 mt -72.72 -11.63 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.9 m -107.1 -73.02 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -14.43 59.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.4 24.89 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -22.95 5.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.73 50.53 4.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -120.81 -5.44 9.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.337 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.94 -13.15 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.61 -172.1 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -146.19 166.8 25.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.75 47.95 0.65 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.486 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.24 -74.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.95 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.02 7.98 61.68 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.36 18.94 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.875 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -144.78 18.83 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.449 ' N ' ' ND2' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -179.13 -101.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.444 ' N ' HD21 ' A' ' 61' ' ' ASN . 9.0 m -157.33 20.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.49 62.29 2.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.2 159.2 38.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -53.84 -34.7 60.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -63.95 -40.35 96.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.58 -53.55 40.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.8 t -56.78 -45.32 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.85 -28.23 65.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -63.86 -50.56 68.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.0 mm -67.85 -51.68 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 77.3 t -53.66 -40.06 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -66.87 -45.77 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.32 -39.94 80.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -45.2 75.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -64.92 -31.2 72.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.4 -46.23 49.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -37.84 85.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.4 ttp -77.05 -43.01 36.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -129.56 69.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 67.0 mt -50.5 -30.74 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -94.56 91.64 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.77 -74.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 62.18 76.03 0.4 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.635 0.731 . . . . 0.0 111.085 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -8.62 24.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 45.0 t0 56.57 42.94 26.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 63.43 36.68 11.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 56.2 25.0 8.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.98 105.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -93.95 21.94 6.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.3 t -64.44 -25.88 68.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -59.03 -75.24 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.83 98.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -125.0 -40.56 0.41 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 70.33 10.07 7.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -112.24 -2.99 14.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.832 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -78.89 -13.37 59.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.5 m -166.64 43.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -72.41 78.65 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -146.57 90.46 5.56 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -171.62 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.367 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -117.55 35.09 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.138 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.09 25.97 15.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 52.05 43.08 30.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.88 179.79 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.925 0.393 . . . . 0.0 110.855 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -103.62 45.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 31.5 mtp -146.64 83.74 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -118.83 -8.84 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.04 -55.19 15.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.15 -21.43 66.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -77.4 -43.78 31.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.81 -41.7 74.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.05 -51.21 51.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -61.62 -38.25 86.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.9 t -72.71 -53.16 12.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 56.1 m -60.09 -38.25 82.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -53.54 24.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -52.07 -44.71 64.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -60.34 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.78 -40.41 28.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.08 68.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -75.4 -7.57 54.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -98.97 136.56 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -52.84 174.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 mt -50.57 -24.75 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.29 -49.37 23.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -56.8 -56.04 26.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mt -56.13 -40.45 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -42.73 93.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -62.97 -41.97 99.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 39.6 mm -62.24 -57.44 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.15 -31.88 70.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -45.23 86.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -68.24 -35.85 78.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.1 tp -71.08 -33.32 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.16 42.26 7.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.536 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.7 mt -134.39 59.85 39.44 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.61 0.719 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 81.75 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.307 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -174.24 57.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.55 -179.62 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.43 -122.72 2.51 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.65 -173.51 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.36 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -49.41 -30.85 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -71.68 -45.91 60.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -46.59 89.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.75 -56.92 11.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.455 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -51.22 -49.29 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -63.67 -31.8 73.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.48 -46.71 63.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.85 -57.52 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 19.7 mt -57.26 -42.55 81.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.58 -22.26 66.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -81.51 -43.66 18.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.445 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 5.3 mt -84.84 -5.59 59.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 78.9 m -112.65 -55.91 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.43 -7.52 58.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.416 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -134.36 20.8 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -14.05 45.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.9 41.48 0.28 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -47.71 82.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 178.93 66.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -158.41 76.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -58.1 167.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.69 48.07 0.7 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.464 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.37 -67.93 0.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.83 0.347 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.05 -11.14 44.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 65.46 8.07 4.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.83 8.03 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.453 HD21 ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -66.35 -10.43 42.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.453 ' N ' HD21 ' A' ' 61' ' ' ASN . 1.4 m 62.62 37.51 12.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 pp -147.93 19.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.949 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.36 -177.95 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.9 -30.46 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -49.03 75.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.92 -52.1 52.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 99.7 t -56.09 -46.08 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.4 -23.97 60.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -67.4 -49.87 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.3 mm -74.14 -39.31 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.9 t -64.14 -40.35 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -72.76 -44.02 62.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -66.85 -44.82 80.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.2 m -67.18 -39.08 86.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -73.17 -51.46 17.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -58.45 -37.81 76.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -24.97 37.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.7 ttp -63.78 -56.5 15.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -149.63 14.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 41.15 85.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -66.03 174.22 2.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 t -81.45 51.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 50.23 85.99 0.17 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -4.26 13.71 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 55.68 65.92 1.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.1 -33.73 8.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -165.72 -77.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -179.42 -34.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.69 21.65 12.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.4 t -147.93 -74.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 52.22 29.6 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.7 t 63.12 40.58 8.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 149.05 83.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 p -135.02 8.03 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.9 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.2 23.84 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 26.2 t80 62.68 20.18 11.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m 56.55 88.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -76.1 69.54 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -50.76 137.71 24.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.719 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -171.65 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.06 34.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.51 -77.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -174.75 -159.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 1.4 p -164.59 -171.11 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -74.58 83.88 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 30.4 mtm -146.31 53.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 50.65 25.72 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.0 m -131.44 -32.94 1.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.92 -26.09 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.94 -43.51 35.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 tp -69.4 -41.72 76.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 90.2 t -67.97 -51.58 47.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m -61.42 -37.84 84.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 64.1 m -73.11 -52.97 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.7 m -59.62 -39.75 85.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -53.77 24.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -50.98 -48.33 61.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.15 -57.9 5.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.17 -41.19 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.4 -40.85 81.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -76.42 -12.74 60.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -98.55 134.41 41.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -54.17 176.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mt -51.5 -24.75 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.62 -49.31 27.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -54.89 -56.96 13.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -32.25 70.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.66 -47.62 84.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -40.34 95.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -66.06 -57.23 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.5 -26.45 66.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.17 -43.8 64.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -76.54 -24.84 53.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.74 -12.13 59.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.61 16.4 15.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 mt 64.33 84.12 0.19 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.596 0.713 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -161.05 0.07 OUTLIER 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.353 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 0.78 6.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 70.36 -161.63 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.407 ' HA3' ' HB3' ' A' ' 37' ' ' ASP . . . 140.43 150.64 5.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 177.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -40.93 38.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.6 -55.16 25.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.407 ' HB3' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -51.75 -48.95 63.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.9 mt -55.58 -52.28 64.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.42 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.3 mt -51.25 -54.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.43 -26.61 67.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -50.15 60.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.0 t -60.3 -54.35 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 11.1 mt -57.36 -39.43 75.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.37 -24.88 63.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.82 -44.91 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.475 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 8.5 mt -80.1 -11.75 59.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.5 m -106.59 -65.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.65 -11.68 60.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -131.36 24.09 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -21.77 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.08 44.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.89 35.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.307 . . . . 0.0 110.907 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -146.98 14.85 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 53.88 90.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -54.05 172.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.18 42.68 0.46 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.67 -72.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.772 0.32 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.06 -40.28 3.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.67 12.98 11.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -161.94 37.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.98 4.34 26.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 m -75.41 54.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 179.38 31.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.45 -178.97 5.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.89 -36.11 36.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.07 -45.09 93.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.87 -53.58 48.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.4 t -54.34 -43.32 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.62 -31.7 69.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -64.05 -50.39 68.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.4 mm -66.97 -52.53 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.2 t -52.18 -41.14 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -66.7 -42.37 86.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.12 -48.48 78.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -51.07 71.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -46.07 85.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -51.88 -46.61 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -79.68 -25.01 41.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 ttp -56.16 -57.8 10.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.86 31.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.412 ' O ' ' CB ' ' A' ' 82' ' ' GLN . 35.6 mm -107.85 -76.73 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER 77.14 -46.96 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.8 t -90.02 32.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 65.38 123.15 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.555 0.693 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -1.32 8.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.344 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 66.95 65.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.4 tp -43.18 -73.41 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -175.87 31.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 59.96 102.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -74.04 72.79 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.8 p 179.48 34.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -83.54 59.81 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t 63.43 94.4 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.2 79.16 0.23 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.28 16.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.06 -5.27 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.01 9.65 36.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -171.74 64.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.54 74.35 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.03 160.64 0.8 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -172.62 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.386 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.23 34.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.29 -32.03 23.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 61.47 47.88 6.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.72 29.37 5.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.947 0.403 . . . . 0.0 110.873 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 54.9 m170 56.58 44.85 23.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 5.8 ttp 65.66 44.1 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 63.93 34.23 11.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 76.49 -2.51 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.06 -31.74 66.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.55 -39.85 44.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.9 tt -69.64 -41.17 75.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.1 t -71.78 -52.04 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -58.28 -40.95 83.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.2 m -70.26 -50.69 37.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.0 m -58.65 -44.47 90.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -54.05 45.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.18 -44.37 61.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -59.25 3.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.47 -41.22 39.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.39 79.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -76.53 -11.61 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -94.64 133.37 38.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -52.51 173.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -50.3 -25.96 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -49.55 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.32 -54.33 46.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mp -54.51 -39.69 67.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -46.24 89.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -43.68 86.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.1 mm -62.25 -57.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.56 -31.6 69.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -46.27 83.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -67.18 -35.44 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tp -68.06 -33.45 74.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.03 43.01 7.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -136.81 59.74 25.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.584 0.707 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 75.89 1.18 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.89 57.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.98 -179.11 3.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.06 -121.78 1.48 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.89 -173.13 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -49.7 -29.31 7.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -71.99 -47.98 48.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -49.62 77.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.8 -56.47 20.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.441 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 3.1 mt -51.52 -50.21 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -58.64 -32.0 68.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -47.29 67.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.8 t -58.35 -57.54 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 13.2 mt -57.15 -43.08 82.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.39 -21.46 66.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.436 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -81.26 -42.25 20.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.436 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 4.3 mt -87.77 -4.91 58.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.7 m -112.55 -49.43 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.89 -5.58 44.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 1.9 mt-10 -135.91 14.13 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.27 -44.51 8.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.09 1.69 41.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 53.56 23.18 3.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.788 0.327 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 60.9 18.45 8.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -76.0 -72.83 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -175.83 165.43 3.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.81 46.57 0.71 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.434 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.01 -68.47 0.92 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.45 -13.57 59.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER 65.23 9.01 5.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.77 -12.24 4.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.457 HD21 ' N ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -53.2 -26.35 17.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 m 47.16 34.15 2.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.11 23.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.35 -179.65 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.79 -30.45 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -65.32 -47.55 76.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.85 -52.71 55.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.8 t -55.35 -45.17 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.19 -28.63 64.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -64.36 -49.52 71.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.8 mm -71.13 -40.09 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.25 -41.67 84.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -71.31 -49.37 43.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.66 -40.72 93.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.6 m -67.49 -42.21 83.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.21 -52.4 48.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -59.16 -36.88 76.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -22.71 41.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 ttp -67.82 -58.39 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -142.55 1.32 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 26.9 mt 64.89 118.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -104.8 -162.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 58.1 m -87.93 38.21 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 48.57 78.72 0.38 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.645 0.736 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -6.29 18.26 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 50.95 34.51 10.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 62.07 62.0 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 52.18 29.24 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.73 104.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.5 mmm-85 -95.99 22.3 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.4 p -94.07 42.32 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -125.44 29.73 5.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 p -168.69 140.97 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.5 -57.05 4.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 69.23 11.42 8.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.84 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -120.58 -2.26 9.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.79 9.22 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -168.47 47.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -74.17 74.51 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.3 157.04 1.27 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -172.36 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.72 2.28 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.29 31.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 51.19 39.11 22.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.45 84.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.22 46.4 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.839 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 30.5 m80 62.3 47.49 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 7.5 mtp -145.86 82.79 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -122.04 -6.04 8.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.4 m -49.91 -55.97 12.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.02 -21.43 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -79.04 -41.96 27.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tt -70.02 -39.42 75.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.7 t -71.9 -52.22 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -59.18 -41.77 89.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.1 t -68.84 -46.92 67.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.7 m -61.44 -39.96 92.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -54.98 21.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -51.42 -50.75 59.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.17 -57.62 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.31 -41.34 38.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.62 -35.54 77.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -81.25 -11.22 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -102.73 139.29 38.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -50.75 170.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mt -52.66 -22.6 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -49.59 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.33 -53.62 55.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.3 mp -58.44 -31.31 67.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.418 ' HA ' HD23 ' A' ' 24' ' ' LEU . 1.7 tttm -68.42 -45.62 72.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -62.59 -39.47 93.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -67.57 -57.75 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -59.54 -26.32 65.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -74.83 -45.97 39.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -68.79 -28.62 66.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.8 mt -66.54 -28.13 68.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.46 27.8 26.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.465 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.5 OUTLIER -131.21 56.93 27.75 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.607 0.718 . . . . 0.0 110.879 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 29' ' ' LEU . 53.2 Cg_endo -69.83 78.63 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.32 57.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.24 -172.03 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.24 -119.6 4.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.62 -172.61 2.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.03 -28.18 6.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -70.45 -48.11 57.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -48.19 82.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 71.9 mt -58.93 -56.21 25.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.41 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -52.12 -53.69 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -57.34 -30.07 64.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -49.42 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.8 t -57.41 -55.59 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 6.7 mt -59.52 -38.24 80.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.73 -25.73 67.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -79.74 -44.55 20.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.468 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 6.7 mt -81.6 -6.83 59.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.5 m -112.74 -63.02 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -10.54 59.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.418 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 2.3 mt-10 -127.77 22.73 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -2.94 23.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.95 -7.82 56.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.543 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.54 59.38 1.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.849 0.356 . . . . 0.0 110.93 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -118.19 -12.8 9.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 -71.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.443 ' HA ' ' CE2' ' A' ' 57' ' ' TRP . 33.7 p80 -174.96 162.67 3.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.47 44.3 1.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.443 ' CE2' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -114.36 -74.14 0.63 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 130.13 -2.56 5.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.443 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER 66.2 10.15 6.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.19 36.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.443 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 1.1 p30 -71.34 -8.63 55.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 49.67 42.61 23.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' HG ' ' HB2' ' A' ' 61' ' ' ASN . 2.1 pp -161.1 30.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 p -139.84 179.76 6.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -51.92 -34.7 42.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -46.31 89.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.53 -51.05 67.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.2 t -55.71 -47.25 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.44 -28.65 66.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -49.67 74.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.3 mm -72.32 -34.47 49.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.6 t -59.12 -47.1 91.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -74.06 -39.45 63.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -51.8 65.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.3 m -66.85 -38.41 86.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -66.91 -53.69 29.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -59.33 -34.35 72.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.53 -24.17 36.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -56.72 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -147.28 13.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 42.24 88.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.521 HE21 ' N ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -63.31 -76.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.521 ' N ' HE21 ' A' ' 82' ' ' GLN . 0.1 OUTLIER 176.54 33.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 51.63 75.15 0.68 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.543 0.687 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -5.93 17.38 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.0 t70 65.77 78.84 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 pp -57.57 -19.35 24.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 67.02 70.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.3 m -49.13 -69.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -159.95 24.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -104.4 58.8 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -134.48 25.71 3.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.0 p -154.14 -168.36 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -93.05 -116.58 2.48 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p -179.29 29.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.883 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -127.58 -3.84 6.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.01 9.18 38.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.7 t -176.03 60.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -76.98 63.32 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.14 108.03 0.89 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.606 0.717 . . . . 0.0 110.86 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 95.01 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -141.99 34.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -51.07 -31.09 17.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -69.09 84.72 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.56 -66.1 0.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 0.0 110.878 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -148.09 44.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 18.9 mmt -150.98 87.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -114.76 -6.95 12.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -54.37 30.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.73 -20.97 66.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -77.36 -45.0 27.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.82 -41.27 75.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.0 t -67.78 -51.55 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 t -61.69 -38.25 87.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.0 m -72.33 -52.44 16.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.2 m -60.12 -40.58 90.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -54.27 26.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -51.08 -46.03 61.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -69.31 -52.02 31.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.08 -41.74 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.92 -43.37 75.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -72.79 -14.8 61.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -97.47 132.16 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -50.96 170.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mt -50.27 -25.34 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.83 -49.46 29.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -58.3 -52.89 63.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.25 -32.92 71.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HA ' HD21 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -65.01 -47.73 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.85 -41.21 97.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.1 mt -65.72 -58.06 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -59.47 -26.37 65.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -73.27 -44.37 59.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -75.38 -22.52 57.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.3 mt -66.39 -33.08 74.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.81 21.19 12.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.472 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.417 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -141.48 56.07 5.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.655 0.741 . . . . 0.0 110.926 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.77 75.07 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.68 2.254 . . . . 0.0 112.356 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.03 59.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -177.39 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.36 -123.91 1.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.56 -173.53 2.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.35 -31.4 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -52.15 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.99 -47.74 82.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 mt -58.52 -54.61 45.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.407 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -51.55 -49.58 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.83 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -59.37 -32.95 70.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -47.31 69.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.2 t -58.25 -57.03 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 8.1 mt -57.03 -39.38 74.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.64 -25.16 65.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -79.09 -44.34 22.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.467 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 8.2 mt -80.88 -10.21 59.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.5 m -108.25 -63.64 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.17 -10.45 59.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -132.57 23.3 4.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -23.5 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.61 38.8 15.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -32.11 22.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.742 0.306 . . . . 0.0 110.867 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -131.73 47.07 2.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -179.61 137.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -51.54 103.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -138.87 55.25 0.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.72 -60.81 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 52.4 25.61 20.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.27 68.0 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.89 67.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.414 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -87.54 14.63 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 50.26 41.22 23.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 pp -159.02 24.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.67 -179.44 5.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -50.86 -37.12 41.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -42.62 99.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.79 -53.47 46.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.9 t -54.56 -45.3 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.4 -30.96 69.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -62.1 -50.31 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.2 mm -67.12 -51.92 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 54.8 t -52.74 -39.33 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.7 -44.43 77.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -51.73 68.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -42.45 94.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -67.12 -45.61 76.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -45.5 77.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -79.33 -23.46 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.8 ttp -66.61 -59.77 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.405 ' O ' ' HB ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -139.16 -7.18 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.405 ' HB ' ' O ' ' A' ' 80' ' ' GLN . 24.8 mt 73.84 -57.28 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 63.82 -101.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 173.58 33.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 54.87 96.3 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -4.09 13.34 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 t0 64.49 80.19 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.468 ' CD1' ' H ' ' A' ' 87' ' ' LEU . 0.0 OUTLIER -73.73 -2.77 24.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 49.59 69.39 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 14.5 p -107.62 -105.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 48.38 25.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.23 91.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.92 149.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 157.12 110.23 0.3 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.2 t -133.91 -160.2 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.36 -10.46 24.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.33 12.62 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m 63.56 106.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 13.6 t80 62.36 58.89 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -146.65 90.59 5.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -171.75 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.21 32.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 51.47 39.06 23.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.72 85.47 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.113 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 26.5 m -104.2 57.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.823 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 78.9 m80 58.82 44.11 17.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 13.0 ttm 66.45 44.21 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 66.36 31.64 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 75.27 -3.21 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.47 -32.54 66.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -78.0 -40.22 39.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.23 -41.84 76.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.1 t -70.83 -51.85 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 m -58.77 -40.43 83.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.1 m -71.22 -48.98 48.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.6 m -60.0 -44.41 94.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -54.34 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -50.51 -49.76 54.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -53.43 39.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.98 -43.2 60.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.36 82.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -73.18 -19.3 61.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -97.71 132.45 43.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -51.87 171.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt -51.34 -24.85 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -47.82 -49.74 28.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.83 -53.07 61.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -58.5 -31.58 68.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.415 ' HA ' HD21 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.59 -47.72 68.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.824 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -41.67 97.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.6 -58.42 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -60.23 -26.98 66.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.77 -46.53 65.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -68.9 -30.66 69.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.71 -26.67 66.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.83 30.75 4.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mp -102.86 159.41 29.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.714 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 165.02 32.32 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.69 -30.86 71.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -59.53 -171.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.48 94.26 2.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -57.72 173.12 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.331 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.13 -37.64 47.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -71.67 -47.24 55.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -48.97 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.75 -57.06 12.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.429 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.0 OUTLIER -51.52 -50.26 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.837 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -60.56 -32.74 71.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -47.27 68.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 51.4 t -59.32 -57.56 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 10.8 mt -57.51 -37.33 72.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.49 -27.54 67.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.053 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -78.04 -44.96 24.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.47 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 10.7 mt -78.49 -11.87 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.5 m -106.99 -67.23 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.27 -12.12 61.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -131.56 24.23 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -21.82 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.55 55.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -34.2 23.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.749 0.309 . . . . 0.0 110.932 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 60.16 79.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -142.89 -70.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -178.86 69.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -123.2 64.43 0.53 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.417 ' O ' ' HB3' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -118.74 -64.66 1.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.829 0.347 . . . . 0.0 110.859 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.94 23.41 3.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 47.58 26.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -161.54 18.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.475 HD21 ' N ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -76.23 54.05 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 55.9 p -76.42 54.75 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.5 13.24 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -178.2 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -49.5 -31.02 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.37 -45.01 73.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.39 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.7 t -56.7 -43.61 79.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.3 -25.84 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -48.7 70.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.3 mm -75.38 -40.68 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 t -62.82 -41.93 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.59 -49.27 33.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -60.78 -39.7 89.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 87.4 m -69.7 -42.72 73.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -67.94 -52.52 35.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -58.77 -45.96 88.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -32.93 73.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.1 mtp -58.91 -56.55 20.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -177.9 25.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 91.2 mt 62.52 -77.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' CYS . 1.8 tt0 62.62 -150.73 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -33.81 -61.59 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 50.39 73.43 0.99 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.711 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -2.65 10.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.314 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 87' ' ' LEU . 9.5 t70 67.59 95.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 86' ' ' ASP . 0.0 OUTLIER -36.41 -70.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 178.14 35.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.5 m 54.91 28.02 9.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.25 22.84 12.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.1 m -85.02 -48.18 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -81.83 -23.66 36.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.8 m -148.01 113.02 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -91.79 -118.54 2.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.85 29.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -124.54 -4.99 7.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.31 9.34 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 p -179.26 65.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -110.44 38.95 2.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.03 156.99 1.19 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -171.84 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.724 2.282 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.34 34.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.169 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -51.21 -76.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 179.98 -158.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 12.2 p -130.13 -42.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -132.87 47.22 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 30.8 mtm -145.79 83.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -113.34 -12.52 13.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.6 m -49.61 -54.96 15.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.33 -21.23 66.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.71 -43.54 30.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.5 tt -69.76 -41.57 75.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.8 t -68.37 -51.44 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -61.55 -38.55 87.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.6 t -72.07 -50.39 28.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.4 m -61.32 -40.05 92.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.8 -54.74 19.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.88 -48.65 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -58.49 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.34 -42.65 42.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.23 -38.58 85.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -74.77 -18.38 60.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -91.33 143.48 26.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -66.43 177.36 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -48.66 -26.59 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.57 -49.45 46.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -60.83 -58.07 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.27 -30.85 62.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -49.72 66.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -60.42 -41.26 93.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 62.3 mt -64.4 -57.73 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.67 -32.75 69.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -44.54 86.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -68.36 -32.27 72.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.6 tp -71.0 -18.37 62.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.35 29.24 4.87 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.526 ' C ' ' H ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER 49.62 82.82 0.23 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 110.877 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 27.5 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.65 2.234 . . . . 0.0 112.385 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.526 ' H ' ' C ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 41.31 32.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -61.04 -174.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.55 -113.15 3.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.55 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.98 -172.73 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.91 -26.98 6.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -50.63 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.54 -47.15 73.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.4 mt -56.62 -56.52 20.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.41 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -52.62 -54.22 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.784 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.07 -31.97 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -46.09 59.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.5 t -57.25 -57.52 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 6.7 mt -58.22 -40.91 82.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.94 64.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -80.61 -44.86 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.457 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 7.2 mt -81.68 -8.46 59.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 m -110.5 -61.99 1.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -9.32 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -132.87 22.72 4.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -19.62 17.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 134.62 -24.66 3.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 51.83 24.14 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.333 . . . . 0.0 110.897 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 62.53 40.32 10.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -133.68 -69.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -141.98 -171.73 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 126.71 35.24 0.56 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.28 -63.14 1.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.798 0.332 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 51.78 27.66 20.86 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.541 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 44.37 65.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.922 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.42 68.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.32 10.09 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 48.97 42.79 21.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 pp -156.11 22.32 0.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.88 -178.51 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -49.07 -30.94 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.71 -51.01 71.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.83 -51.7 56.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.5 t -56.3 -46.27 81.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.09 -26.03 61.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -65.16 -49.92 67.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.0 mm -72.66 -40.76 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.7 t -64.08 -38.37 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -71.24 -48.54 50.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.0 -43.37 92.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.6 m -62.03 -48.98 77.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.69 -47.91 65.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.71 -43.27 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -79.43 -25.25 42.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.9 tpp -60.19 -55.6 31.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.77 30.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.7 mt -144.64 56.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -19.24 28.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.3 t -50.43 -27.5 6.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 64.44 91.87 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -8.16 22.9 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 46.2 t0 56.7 32.75 21.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.4 tp 52.16 57.26 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 51.23 44.76 28.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.5 m 64.72 31.63 11.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.49 23.43 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.7 t 58.56 79.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 51.9 67.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.89 129.14 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.39 -78.63 0.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.6 p -179.39 28.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.867 0.365 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -127.53 -3.35 6.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.46 9.22 37.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 p -178.81 61.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -73.89 75.75 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.67 90.53 5.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -171.79 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.673 2.249 . . . . 0.0 112.38 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.24 34.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -51.35 -30.81 19.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.06 82.49 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 47.0 m -114.71 30.61 7.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 33.4 m80 61.28 47.61 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 14.3 mtm -145.1 83.7 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -109.56 -16.92 13.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 93.5 p -50.54 -52.67 36.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.27 -21.85 66.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.88 -43.11 31.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.8 tt -69.87 -41.3 74.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.01 -51.5 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -60.87 -39.28 88.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.5 m -71.59 -52.56 17.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 m -59.85 -39.39 85.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -54.07 29.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -51.75 -47.49 64.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -60.38 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.44 -43.21 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.38 77.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -72.29 -16.89 61.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -96.0 136.32 36.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -55.36 178.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mt -52.34 -24.86 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -48.28 37.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -58.25 -55.47 34.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.36 -51.89 66.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.04 -48.11 73.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.66 -49.68 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.3 mt -67.91 -59.48 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.14 -27.79 6.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -76.61 -46.16 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -63.62 -37.21 86.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 mt -67.6 -32.83 73.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.16 38.62 9.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.4 63.76 69.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -169.34 0.32 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? 68.74 59.03 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.81 -169.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.2 -127.61 5.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.77 -172.53 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.866 0.365 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.49 -30.53 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -71.74 -45.48 61.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -48.1 83.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.6 mt -62.92 -55.37 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.409 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 5.9 mt -51.66 -55.42 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -56.69 -33.89 66.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -55.38 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 t -53.98 -50.75 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 15.8 mt -55.07 -37.85 67.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.18 87.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' HB2' ' A' ' 49' ' ' GLU . 10.8 mp -56.47 -52.31 65.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mt -73.62 -25.25 60.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.9 m -80.4 -69.55 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -20.06 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 4.2 mt-10 -62.99 -12.19 24.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.618 HE21 ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -71.49 -5.32 32.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.946 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.618 ' N ' HE21 ' A' ' 50' ' ' GLN . . . -50.32 -26.52 9.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.12 -31.96 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 69.02 38.08 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -157.83 37.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -55.89 179.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.05 39.74 0.51 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.448 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.68 -68.93 0.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.29 4.97 58.24 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -116.11 4.0 13.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -111.92 -7.81 14.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.464 ' N ' ' ND2' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -155.19 15.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.47 36.02 2.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 pp -167.27 133.62 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.93 173.26 17.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -34.12 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.5 -45.06 92.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.14 -54.02 36.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 58.4 t -57.56 -44.97 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.89 -24.85 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -66.67 -48.84 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.6 mm -72.73 -39.23 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.6 t -63.04 -41.09 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -72.19 -49.15 37.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.16 -39.36 92.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.3 m -67.43 -46.45 73.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -63.89 -51.23 65.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -61.62 -34.75 76.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -78.29 -24.46 46.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 tpp -72.93 -57.38 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.02 20.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 52.9 mt 67.18 -75.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 59.92 171.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.4 m -79.13 60.94 3.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -46.96 106.65 0.61 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -7.61 21.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.3 t0 65.2 48.84 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 17.9 tp 63.77 40.47 7.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 51.41 48.67 22.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.9 107.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.3 mtm-85 -92.79 21.14 5.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.69 25.71 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -32.37 70.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.66 146.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -103.32 -118.4 4.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 69.23 11.21 8.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.838 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -118.99 -2.79 10.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.12 11.11 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.2 p -174.81 43.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -158.89 51.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -146.53 90.44 5.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.575 0.702 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -172.0 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.323 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -141.75 34.37 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -51.22 -31.38 20.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.88 35.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.42 -57.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -143.54 95.93 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 7.4 mtm -134.02 -78.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 66.51 13.06 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.7 m -55.26 -57.56 11.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.12 -22.44 65.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.072 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -78.37 -41.93 31.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.4 tt -69.72 -40.35 76.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.0 t -70.38 -52.06 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 m -59.82 -41.2 90.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.5 t -69.4 -52.16 29.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.9 m -57.25 -41.64 80.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.85 -53.66 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -50.53 -52.35 39.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 tmpt? -65.87 -48.97 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.52 -44.35 65.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.58 -30.69 64.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -76.8 -18.48 58.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -104.28 143.05 33.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -56.36 -179.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mt -57.91 -22.59 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.13 -51.39 18.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -61.73 -50.95 70.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.6 mp -59.05 -31.46 68.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.418 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.07 -51.32 55.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -59.21 -42.09 90.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.79 -58.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -61.19 -27.02 68.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.65 -46.95 70.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -69.99 -34.62 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mt -67.35 -26.91 66.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.77 0.08 42.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mp -51.6 162.76 0.68 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 164.39 34.73 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -65.74 -30.08 70.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.46 -172.71 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.91 94.68 2.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.517 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 177.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.85 -37.44 52.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -71.71 -48.18 48.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -48.86 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.18 -56.8 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.432 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.2 mt -51.42 -50.58 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.47 -31.87 71.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -49.45 65.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.3 -56.65 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 7.7 mt -58.88 -35.13 72.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.61 -29.15 69.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.443 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.9 -44.45 27.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.443 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 9.4 mt -78.89 -11.9 60.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.0 m -107.5 -66.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -12.36 61.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.53 23.66 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -21.18 11.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.07 31.2 6.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -83.59 2.59 36.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -74.17 -10.87 60.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -53.89 -66.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -165.85 165.09 18.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.18 47.72 0.75 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.544 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.77 -64.42 1.31 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.809 0.337 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 58.48 18.73 38.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? 44.15 58.86 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.48 -30.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.4 HD21 ' N ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -45.36 -36.85 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.3 m 42.54 44.72 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.7 pp -137.89 25.35 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.57 -177.17 4.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -49.06 -28.85 4.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -60.97 -51.53 68.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.53 -50.79 65.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.076 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 98.1 t -57.85 -47.29 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.16 -22.59 61.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -66.79 -48.78 67.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.7 mm -75.47 -39.97 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.44 -42.94 97.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.14 -48.73 27.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -52.03 67.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.2 m -61.28 -50.49 72.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -60.64 -42.32 96.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -69.87 -27.91 65.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -77.53 -38.84 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 14.5 ttp -80.79 -55.15 5.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.84 -49.14 40.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mt 55.72 24.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -142.77 164.98 28.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 76.78 -53.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 50.46 78.0 0.43 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.565 0.698 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.26 9.88 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.729 2.286 . . . . 0.0 112.353 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.3 t0 68.34 92.26 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -39.11 -60.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 174.05 -28.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.9 m 67.76 11.69 8.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 48.32 33.65 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 91.1 p -101.32 -34.66 9.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.39 -25.92 61.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 p -165.55 69.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.798 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.05 -102.65 0.93 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.75 10.51 7.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.381 . . . . 0.0 110.903 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -115.17 -2.59 12.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.57 13.15 30.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.3 t -56.94 111.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.2 t80 63.26 43.76 6.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.32 156.88 1.32 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -171.49 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.687 2.258 . . . . 0.0 112.375 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -115.97 35.33 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.38 24.81 14.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 54.2 32.92 16.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 60.1 p -172.98 49.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 61.44 47.45 6.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 2.6 mtt -145.3 79.71 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -126.7 -1.17 6.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 76.7 p -49.66 -56.76 8.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.4 -21.23 66.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -77.22 -43.94 31.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.4 tt -70.06 -41.58 73.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.22 -51.84 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 m -61.56 -40.3 94.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -70.13 -48.32 58.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 m -60.47 -41.2 93.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -54.6 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -51.35 -51.09 57.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -53.3 47.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.36 -43.44 61.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.96 85.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -75.88 -17.67 59.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -95.64 136.47 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 171.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mt -51.02 -25.24 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -47.83 60.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -54.72 -58.75 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.7 -29.69 70.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -47.57 85.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -40.65 77.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 95.8 mt -62.19 -55.86 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.41 ' HG ' ' HB3' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -60.47 -40.69 92.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.5 -42.12 74.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -71.38 -40.51 70.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -12.12 61.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.608 ' O ' ' C ' ' A' ' 29' ' ' LEU . . . 107.15 46.36 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.452 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.608 ' C ' ' O ' ' A' ' 28' ' ' GLY . 3.0 pp -18.26 118.56 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.711 . . . . 0.0 110.94 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -165.84 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -69.23 -16.5 63.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -174.99 158.79 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.9 95.21 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.37 175.8 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.83 -49.43 29.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -68.57 -46.24 69.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.33 -43.84 71.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 96.5 mt -65.15 -54.89 22.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.417 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.5 mp -50.93 -53.29 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -34.65 75.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.1 mmt-85 -65.85 -48.3 72.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 42.5 t -53.98 -52.02 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 7.7 mt -59.52 -41.51 90.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.81 -26.08 68.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.7 mt -75.66 -52.08 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.5 mt -74.92 -9.88 58.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.0 m -107.54 -70.41 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -10.9 60.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.23 23.65 4.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.52 -22.23 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.47 34.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.65 63.22 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 110.93 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -140.31 9.07 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 62.31 63.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.448 ' HA ' ' NE1' ' A' ' 57' ' ' TRP . 0.5 OUTLIER 51.26 -170.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.07 41.79 1.26 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.448 ' NE1' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -113.24 -1.19 14.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.806 0.336 . . . . 0.0 110.944 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.94 -16.07 23.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.454 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -91.09 55.48 2.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER 64.51 16.44 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER 34.09 46.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -79.01 44.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -174.67 25.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.81 -179.88 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.51 -32.58 28.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.08 -49.23 78.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.68 -53.66 38.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 86.2 t -55.62 -45.8 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.5 -28.62 65.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -63.57 -50.64 68.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.1 mm -70.3 -51.88 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 56.3 t -52.71 -39.23 29.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -70.08 -44.53 68.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -39.99 82.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.7 -44.81 63.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -67.81 -29.24 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -53.25 8.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -62.05 -39.7 93.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.7 ttm -77.28 -52.41 9.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -132.57 73.08 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 80' ' ' GLN . 13.4 mm -35.32 -46.16 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 61.61 -89.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.41 33.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 64.93 87.84 0.12 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.556 0.694 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -4.68 14.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 0.0 112.372 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 51.41 58.82 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 tt -46.7 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.52 -24.3 31.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 61.84 103.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.89 74.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -170.49 30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.13 -28.52 8.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.9 t -179.24 69.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 115.84 108.09 2.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.0 t -151.38 15.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.88 -4.98 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.42 9.11 35.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -175.89 48.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -73.91 75.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -50.86 160.56 0.78 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -171.89 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.29 32.17 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 51.51 38.88 23.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.89 84.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.072 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 19.4 m -161.59 30.33 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 0.0 110.861 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 59.98 94.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 67.32 72.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -87.76 39.31 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.06 -2.01 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.14 -34.01 68.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -79.05 -39.24 34.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -41.46 78.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 77.0 t -72.56 -50.4 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -59.99 -37.48 79.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.0 t -74.54 -52.7 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.8 m -58.44 -42.54 87.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -54.54 18.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -51.78 -45.48 63.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -57.58 4.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.7 -42.18 45.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.82 -40.43 75.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -74.33 -13.66 60.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -100.76 138.48 37.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -56.77 -178.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mt -52.29 -24.88 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -46.32 -50.17 16.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.33 -53.9 51.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt -58.99 -34.59 72.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -48.35 82.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -41.19 97.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.9 mm -65.6 -57.25 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -26.87 66.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.25 -45.31 66.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -73.75 -27.39 61.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.7 tp -69.34 -10.98 60.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 29' ' ' LEU . . . 109.53 19.78 8.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER 35.17 90.74 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.882 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 174.48 9.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.333 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -47.18 -31.71 3.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -175.73 -175.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.24 94.61 0.1 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -68.24 178.58 1.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.864 0.364 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.88 -45.56 30.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -70.38 -49.9 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -48.47 64.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 mt -61.31 -52.32 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.472 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.2 mt -50.32 -49.85 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -32.98 74.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -44.1 69.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -60.05 -58.5 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 9.8 mt -57.69 -38.81 75.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.37 -25.44 65.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.066 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -78.9 -44.75 22.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.452 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 8.8 mt -80.12 -11.08 59.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.3 m -107.47 -64.83 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -11.13 60.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -132.08 25.02 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -21.81 13.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.83 49.42 78.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.47 32.09 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -136.3 -38.68 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -176.14 -35.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.438 ' HA ' ' CE2' ' A' ' 57' ' ' TRP . 42.8 p-80 -102.65 59.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -117.91 57.6 0.53 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.438 ' CE2' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -113.67 -14.77 12.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.921 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.25 45.06 3.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.0 ttm-85 -98.3 5.72 48.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -128.69 36.34 4.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -114.23 17.18 17.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.5 t 51.03 41.17 27.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.0 pp -164.9 33.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.43 -175.05 2.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.71 -32.99 6.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.19 -48.69 80.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.6 -49.69 70.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.2 t -56.06 -44.82 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.11 -25.89 61.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -66.74 -48.92 67.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.5 mm -73.43 -38.52 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.9 t -64.36 -40.19 88.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -72.53 -48.6 39.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.13 -42.18 99.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.1 m -69.69 -39.69 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -70.77 -43.06 69.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -70.74 -30.21 66.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -40.93 47.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.5 ttm -77.46 -44.64 28.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -76.84 -45.91 26.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 6.2 mt 61.75 17.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -71.28 -169.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 71.9 m -82.27 60.47 5.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 67.08 131.96 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.535 0.683 . . . . 0.0 111.087 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -2.99 11.11 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.31 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.0 t70 68.7 52.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.41 1.47 25.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 67.18 11.69 8.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.2 m 51.0 28.25 3.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 54.78 25.34 6.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 t -58.93 -38.54 79.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.52 63.52 2.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.2 p -174.44 137.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.21 92.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.2 5.88 4.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 50.82 25.75 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.0 t80 57.29 22.37 7.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.63 173.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.11 38.64 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.82 160.75 0.75 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -171.39 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.256 . . . . 0.0 112.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -141.98 33.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.07 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 179.96 -157.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 16.8 t -179.94 -42.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.933 0.397 . . . . 0.0 110.9 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -148.37 95.43 2.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 22.9 mtm -136.15 81.47 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 1' ' ' SER . . . -82.77 54.05 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' -1' ' ' ALA . 0.4 OUTLIER 79.83 -42.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.816 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.48 -30.42 53.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.83 -41.26 44.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.65 -42.5 74.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.9 t -67.8 -51.31 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -60.61 -40.54 92.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.2 t -71.23 -54.0 12.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 54.9 m -58.35 -39.84 80.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -53.1 49.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -49.89 -52.03 36.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -68.48 -42.57 78.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.17 -43.11 78.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.87 -41.85 70.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -74.02 -13.29 60.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -100.82 133.62 45.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.933 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -60.32 -169.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mt -62.81 -24.12 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -48.61 -48.65 39.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -66.83 -53.33 33.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mt -51.13 -53.88 30.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.03 -39.88 91.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.62 -52.33 55.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.8 mm -69.27 -34.37 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.0 mp -62.55 -58.84 6.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -57.09 -38.66 73.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -75.36 -19.88 59.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt -87.18 -34.04 19.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.22 41.07 10.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -122.81 77.8 48.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.665 0.745 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 83.21 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.59 61.24 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.483 ' NE2' ' H ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -127.96 -170.68 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.04 -96.35 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.86 -179.61 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -28.34 5.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -72.81 -47.55 45.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -48.51 81.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 mt -60.22 -58.17 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.406 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -52.87 -50.18 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -62.56 -28.36 69.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -66.94 -50.89 60.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.31 -54.17 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 26.3 mt -58.31 -36.42 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.71 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.445 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.21 -44.33 30.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.445 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 12.6 mt -78.43 -12.26 60.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.1 m -106.24 -67.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.73 -12.95 61.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -130.74 24.84 5.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -22.49 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.11 46.25 81.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -43.28 93.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.934 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.51 64.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.45 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -179.32 74.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.45 ' CG ' ' O ' ' A' ' 54' ' ' HIS . 33.0 p80 44.17 -165.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.41 33.23 0.84 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.07 -67.56 0.99 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.843 0.354 . . . . 0.0 110.948 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.496 ' O ' ' HG2' ' A' ' 59' ' ' ARG . . . 50.26 33.1 22.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.496 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER 45.17 28.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.919 -179.815 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.8 82.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.485 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -89.31 15.64 8.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.04 20.41 9.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 pp -141.36 25.51 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.04 -178.17 4.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.0 -37.25 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -61.33 -41.72 97.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.6 -50.06 68.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.7 t -55.32 -47.58 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.01 -24.09 60.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -66.35 -49.11 68.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.0 mm -74.39 -40.59 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.9 t -61.22 -41.84 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -72.45 -48.49 40.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.11 -43.55 98.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 62.7 m -66.79 -43.36 84.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -67.09 -53.37 31.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -56.88 -36.13 69.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -80.79 -24.9 38.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -56.21 15.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -150.94 16.78 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 45.42 86.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -85.79 -178.43 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.5 m -72.49 68.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.46 107.45 0.62 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 111.149 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -5.57 16.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t0 63.56 66.69 0.67 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 96.8 mt -42.94 -75.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 178.28 33.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.8 m 73.8 -60.99 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -174.17 28.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 t 177.02 107.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -94.71 -27.5 15.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.6 t -144.69 80.65 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 123.3 95.76 1.21 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.67 7.04 7.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.844 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 52.66 24.21 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.2 t80 61.37 21.32 11.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.02 -170.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.4 t80 62.0 70.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -50.76 160.6 0.76 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 95.46 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.1 34.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -51.02 -31.55 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -69.08 84.94 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.904 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.98 27.62 3.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.391 . . . . 0.0 110.845 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 61.44 47.46 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 10.6 mtm -145.18 83.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -111.37 -15.78 13.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.09 -52.52 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.21 -21.68 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -77.65 -43.63 30.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.1 tt -69.93 -41.2 74.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.1 t -68.67 -51.14 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -61.56 -38.1 86.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.4 p -72.71 -52.76 13.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.3 m -60.14 -40.02 88.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -54.05 24.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -50.93 -47.01 61.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.13 -52.48 23.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.6 -42.81 62.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.42 -43.89 72.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -70.65 -14.52 62.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -100.98 136.51 40.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -53.93 176.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 mt -52.02 -24.37 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.02 -50.85 14.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.48 -55.54 33.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 mp -54.29 -53.61 51.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -45.47 20.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.79 -43.58 90.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.3 mm -56.97 -53.09 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' HB3' ' N ' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -62.51 -50.19 72.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -47.46 -34.88 7.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -77.0 -37.13 55.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.18 -4.97 57.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 112.67 41.6 1.01 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.418 ' HB3' ' HD2' ' A' ' 30' ' ' PRO . 0.4 OUTLIER 71.81 154.97 0.15 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.61 0.719 . . . . 0.0 110.934 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.443 ' N ' ' HB3' ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.81 177.85 5.2 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.634 2.222 . . . . 0.0 112.347 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.22 30.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.61 -169.45 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.47 -120.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.79 -172.08 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.77 -30.93 4.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -55.39 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -46.21 79.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mt -58.64 -52.55 65.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.414 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 1.1 mt -51.23 -50.25 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -58.92 -34.63 71.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -45.44 77.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.79 -54.96 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 11.5 mt -58.38 -37.47 75.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.83 -26.45 66.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.444 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -78.61 -43.87 25.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.444 ' N ' ' HG ' ' A' ' 45' ' ' LEU . 10.0 mt -80.13 -11.53 59.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.6 m -106.68 -64.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -11.83 60.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -131.58 24.54 4.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -23.03 5.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.1 45.74 79.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -39.52 64.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -122.86 37.29 4.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.12 -170.32 3.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -132.67 -173.38 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.93 34.32 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -113.87 -71.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.9 -62.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? 178.22 -31.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.87 26.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.526 HD21 ' N ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -51.06 -24.1 3.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.904 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.4 m 61.79 34.71 17.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 mt -125.47 32.92 5.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.78 -175.8 5.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.42 -31.07 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -58.89 -49.85 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.03 -51.48 54.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.076 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 88.7 t -55.42 -47.15 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.5 -27.23 63.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -63.53 -51.05 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.3 mm -70.87 -52.06 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 71.1 t -51.82 -40.53 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.53 -45.88 67.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.49 -52.51 65.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -43.07 98.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -65.85 -32.5 74.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -52.64 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -60.91 -45.02 96.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -71.58 -26.41 62.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -137.7 71.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 14.4 pt -74.03 69.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -174.25 144.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 63.43 20.68 12.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.94 118.13 11.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -6.97 19.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.323 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 21.4 t0 64.92 33.44 9.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 45.64 30.29 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 49.6 33.5 5.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m 51.26 28.46 4.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.78 24.79 5.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.5 p -128.79 103.58 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -176.42 -35.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.0 m -109.23 56.68 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -96.15 -92.98 1.8 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -136.55 -159.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.43 -12.92 16.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.82 12.78 9.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.7 m 59.28 43.7 16.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -165.7 57.92 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -50.85 136.13 26.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -172.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.25 . . . . 0.0 112.344 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.13 34.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -51.11 -31.86 20.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -69.36 84.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.02 -59.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -143.41 96.5 2.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.5 72.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . 0.425 ' O ' ' CB ' ' A' ' 1' ' ' SER . . . -76.85 57.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' -1' ' ' ALA . 0.2 OUTLIER 78.64 -42.93 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.17 -31.88 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.33 -39.15 40.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tt -68.91 -39.8 79.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -72.68 -51.82 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -58.96 -42.0 88.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 97.4 p -68.47 -54.73 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 m -52.66 -39.35 61.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -49.15 65.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -54.36 28.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.06 -47.62 76.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.88 -41.73 71.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.5 -41.09 80.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -69.0 -20.49 64.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -95.44 132.6 40.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -54.35 176.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.7 mt -55.14 -23.47 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.09 -49.27 42.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -63.26 -58.78 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mp -54.4 -30.62 52.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.43 ' HA ' HD22 ' A' ' 24' ' ' LEU . 7.8 tptm -68.12 -56.04 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -54.31 -42.18 69.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.6 mm -64.4 -50.03 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -66.69 -26.25 66.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' HB3' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -76.6 -37.95 55.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -78.78 -29.41 44.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.6 mt -67.67 -30.97 70.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.45 37.02 8.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.493 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.9 mp -109.59 84.14 3.02 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.6 0.714 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 74.65 1.27 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.75 -40.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 66.3 -160.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.6 151.9 6.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.08 176.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.58 -36.19 33.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -51.31 53.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.05 -48.9 75.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.1 mt -56.78 -53.97 51.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.418 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -50.87 -54.8 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -28.72 68.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -52.55 55.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.2 t -57.72 -52.9 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 11.1 mt -56.1 -38.66 71.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.67 71.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.9 mt -75.24 -49.78 18.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.9 mt -73.39 -12.31 60.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.0 m -106.14 -72.66 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.25 -14.21 60.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.98 24.75 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -22.85 5.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.97 45.66 71.7 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.537 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.96 -24.49 13.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.32 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -114.36 22.56 13.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.31 -172.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -60.15 -172.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 128.81 34.79 0.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.451 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.14 -63.94 1.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 54.65 23.05 27.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 42.87 65.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.99 67.24 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.402 ' ND2' ' H ' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -87.32 13.3 10.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 52.2 m 49.32 41.71 20.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 pp -159.73 24.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -131.55 -179.65 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -51.02 -40.16 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -42.5 94.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.2 -51.31 61.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 24.7 t -52.84 -51.0 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.14 -25.46 62.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -49.95 70.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.1 mm -67.71 -53.45 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.3 t -56.07 -35.0 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.1 -49.76 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.08 -40.07 90.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 m -61.63 -48.25 81.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -42.89 80.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -49.34 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.42 -25.91 41.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 7.1 ttp -56.63 -59.6 4.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.89 24.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.1 mt 41.06 37.83 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -50.59 103.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 75.6 m 45.24 85.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.68 112.48 8.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 111.133 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -5.44 16.19 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.729 2.286 . . . . 0.0 112.368 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 t0 66.04 61.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 tp -50.86 -25.12 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 65.01 23.4 12.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.4 m 64.75 27.33 13.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.91 22.95 9.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 t -61.54 -32.51 72.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.71 66.69 2.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.38 140.27 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -87.14 -109.68 0.89 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.533 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.13 11.53 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.849 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -122.04 -2.7 9.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.26 9.16 34.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -166.31 47.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -73.17 78.0 1.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -50.47 160.6 0.71 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -171.97 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.642 2.228 . . . . 0.0 112.331 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -141.87 33.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.16 -31.23 19.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 62.13 70.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.056 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 10.3 t -103.89 -28.15 11.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.392 . . . . 0.0 110.837 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 58.0 m80 59.13 46.39 13.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 3.9 mmt -141.29 52.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 51.27 24.83 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.096 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.9 t -128.71 -32.7 2.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.46 -25.41 65.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.053 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -75.55 -44.35 43.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tp -70.19 -39.94 74.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.1 t -67.49 -51.36 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -63.75 -36.65 84.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.2 m -72.98 -52.75 13.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 55.7 m -60.3 -43.63 96.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -54.41 24.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -51.25 -47.55 62.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.97 -59.49 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.81 -42.71 26.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.52 -41.72 79.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -71.59 -16.64 62.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -95.51 134.12 38.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -53.0 173.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.5 mt -49.88 -25.48 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -50.22 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -56.94 -55.2 37.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 mp -59.97 -30.9 69.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' HA ' HD21 ' A' ' 24' ' ' LEU . 1.3 tptt -64.36 -47.71 78.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -62.73 -41.04 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.2 mt -64.99 -57.59 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.404 HD21 ' HA ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -59.54 -28.25 66.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -42.22 72.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -78.82 -19.89 51.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.5 mt -79.19 2.55 20.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 29' ' ' LEU . . . 107.56 11.6 24.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER 35.82 92.19 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.949 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 174.55 9.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.65 2.233 . . . . 0.0 112.364 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -49.11 -31.21 7.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -174.21 -169.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.37 99.49 0.16 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -74.55 -174.62 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.353 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.06 -47.01 65.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -70.6 -52.21 23.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.16 -45.19 61.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.8 mt -63.54 -54.93 28.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.442 ' O ' ' HG ' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -51.4 -55.1 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -59.67 -31.93 70.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -50.33 65.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.3 t -55.84 -54.21 29.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 6.7 mt -61.93 -30.25 70.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.23 -53.43 55.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.102 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 6.4 mp -69.51 -41.46 76.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.1 -23.35 64.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.4 m -103.26 -76.2 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.36 -23.89 6.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 1.4 mt-10 -122.03 26.68 8.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -22.3 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.3 -23.34 33.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -62.25 -17.06 57.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -13.56 61.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -81.93 -64.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.75 165.23 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.75 47.71 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.79 -62.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.23 14.46 30.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 47.1 54.11 9.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -178.84 -32.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -47.29 -33.91 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.9 m 42.74 42.34 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.819 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.0 pp -140.9 20.72 2.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.94 178.85 4.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -32.81 32.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.39 -42.64 87.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.9 -53.38 47.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.1 t -55.93 -46.35 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.94 -28.41 65.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -50.68 67.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.1 mm -66.98 -51.94 49.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -52.95 -42.1 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -65.48 -43.66 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.12 -37.19 81.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -43.9 77.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -52.91 42.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -59.1 -38.67 80.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -21.03 44.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -58.94 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.54 -11.45 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.9 mt 71.29 -69.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -61.26 96.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.1 m -162.96 -50.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 50.11 85.93 0.17 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 0.0 111.09 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -6.46 18.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.4 t0 64.27 71.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.93 -19.64 44.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 65.53 14.13 9.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m 52.58 25.93 3.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 49.97 58.61 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.3 t -161.87 76.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -101.16 -25.67 13.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t -168.46 39.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -177.82 100.9 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.52 145.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.371 . . . . 0.0 110.794 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 63.18 10.62 4.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.41 4.92 10.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 t -170.82 43.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -79.95 78.93 6.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.63 90.31 5.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -172.25 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.33 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.2 mt -142.01 34.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.19 -31.7 21.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 63.14 87.8 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.71 -21.47 66.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.054 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -78.52 -42.68 28.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 65' ' ' LYS . 7.8 tt -69.79 -40.52 75.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.0 t -70.22 -50.86 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -61.51 -37.64 84.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.5 m -73.11 -52.56 13.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.8 m -60.03 -41.33 92.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -53.73 26.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.35 -48.6 55.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.552 ' HB3' HG13 ' A' ' 72' ' ' VAL . 6.3 mptt -68.95 -55.55 10.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -48.89 -42.43 36.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.35 -43.72 73.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -71.37 -13.79 61.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -98.95 135.29 40.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -52.29 173.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt -50.07 -25.52 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.55 -49.31 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.658 ' OE1' HD11 ' A' ' 23' ' ' ILE . 2.2 tm-20 -54.03 -55.12 30.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.765 HD22 ' HB2' ' A' ' 38' ' ' LEU . 1.2 mp -62.28 -32.19 72.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.541 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -59.53 -51.76 68.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.537 ' HB3' HG21 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -63.45 -41.12 98.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.825 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.658 HD11 ' OE1' ' A' ' 19' ' ' GLU . 42.9 mt -63.49 -57.98 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.707 HD13 ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -61.86 -27.08 68.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.595 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -67.34 -46.83 72.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -70.92 -32.8 69.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.66 HD23 ' CB ' ' A' ' 63' ' ' LEU . 4.2 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.687 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.781 0.324 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -70.55 -50.77 34.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -48.71 67.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.765 ' HB2' HD22 ' A' ' 20' ' ' LEU . 5.3 mt -61.46 -54.22 46.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.759 HG13 HD21 ' A' ' 20' ' ' LEU . 1.3 mt -50.54 -50.2 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -31.41 71.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -47.73 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 12' ' ' LEU . 53.1 t -58.57 -57.58 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 13.1 mt -56.7 -42.29 78.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.02 -21.61 65.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.487 HD22 HD21 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -80.81 -42.53 21.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.847 HD21 HG21 ' A' ' 68' ' ' VAL . 5.6 mt -86.27 -6.76 58.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.8 m -110.34 -53.23 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.01 -7.64 53.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.66 ' CB ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.939 0.399 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.466 HG22 ' HE3' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -118.13 -179.86 3.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.803 ' HB3' HD11 ' A' ' 4' ' ' LEU . 1.7 mtmp? -53.14 -39.42 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -54.56 -45.18 73.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.56 -54.3 25.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.847 HG21 HD21 ' A' ' 46' ' ' LEU . 93.2 t -54.37 -44.3 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.29 73.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -62.1 -50.01 73.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.631 HG22 ' OE2' ' A' ' 19' ' ' GLU . 23.4 mm -65.93 -52.64 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' A' ' 11' ' ' LYS . 76.6 t -52.02 -40.85 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.13 -46.05 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -60.61 -34.77 74.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -39.14 70.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.48 -52.28 41.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -36.11 81.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -78.93 -24.26 44.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.8 ttp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 179.886 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.1 -21.35 66.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.7 -42.17 29.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tt -70.0 -40.05 75.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.651 HG22 ' HB2' ' A' ' 46' ' ' LEU . 96.1 t -70.97 -52.06 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -59.75 -40.99 89.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.8 m -69.68 -47.3 63.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.8 m -60.66 -40.15 91.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -54.63 22.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -51.1 -48.97 61.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.582 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -67.85 -54.01 22.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.487 HD21 HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -50.17 -43.78 52.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.44 -38.22 77.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -73.07 -17.56 61.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -99.27 135.63 40.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -52.88 173.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mt -50.01 -25.85 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.14 -49.96 30.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -54.59 -54.64 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.663 ' HB3' HD13 ' A' ' 38' ' ' LEU . 1.8 mp -62.14 -32.01 72.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.584 ' O ' HD23 ' A' ' 24' ' ' LEU . 1.2 tttp -60.0 -48.88 79.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.84 -38.15 82.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.637 HG22 HD12 ' A' ' 27' ' ' LEU . 58.3 mt -65.14 -54.11 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.991 HD13 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -63.94 -33.06 74.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.542 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -64.56 -42.47 95.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -77.22 -31.61 55.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.637 HD12 HG22 ' A' ' 23' ' ' ILE . 6.1 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.696 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.765 0.317 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -71.44 -52.09 20.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.11 -46.47 65.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.991 HD21 HD13 ' A' ' 24' ' ' LEU . 70.9 mt -64.27 -55.54 20.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -51.28 -55.07 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -61.3 -30.33 70.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -69.13 -49.0 60.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.416 HG21 HD13 ' A' ' 12' ' ' LEU . 50.8 t -58.27 -55.71 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 7.9 mt -59.01 -37.95 78.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.1 66.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -79.12 -44.55 21.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.651 ' HB2' HG22 ' A' ' 5' ' ' VAL . 8.0 mt -80.9 -10.09 59.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.0 m -108.86 -63.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -10.43 59.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.517 ' CA ' HD23 ' A' ' 27' ' ' LEU . 4.2 pp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -129.76 -177.6 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.436 ' H ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -48.66 -32.18 7.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -48.01 82.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.85 66.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.71 -45.94 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.26 -24.61 61.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -66.84 -49.42 65.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.9 mm -73.46 -39.02 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.582 HG13 ' CB ' ' A' ' 11' ' ' LYS . 13.8 t -64.84 -39.13 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -72.59 -48.89 36.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -63.75 -37.56 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.5 m -75.04 -35.51 61.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -75.25 -34.93 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -78.78 -34.78 45.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -34.91 52.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.7 ttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 179.854 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.894 0.378 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.4 -21.83 64.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.66 -42.22 35.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 65' ' ' LYS . 2.1 tt -70.08 -40.39 75.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.07 -52.15 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 t -60.09 -42.3 94.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.1 m -68.41 -42.05 79.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 m -62.44 -44.01 97.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.594 ' HD2' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -64.14 -55.47 21.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -50.97 -51.71 49.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.495 ' HG2' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -64.4 -52.67 57.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.004 HD21 HD21 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -51.19 -43.98 61.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.69 76.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.108 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -80.18 -12.98 59.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.409 ' HE2' HG13 ' A' ' 72' ' ' VAL . 17.1 m-85 -97.93 5.88 48.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? 64.25 -167.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.777 ' HA ' HD12 ' A' ' 20' ' ' LEU . 3.2 mt -64.53 -24.65 36.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -49.53 18.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -53.64 55.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.004 HD21 HD21 ' A' ' 12' ' ' LEU . 2.0 mt -57.96 -39.83 79.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -46.01 82.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -42.17 99.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.591 ' O ' HD12 ' A' ' 27' ' ' LEU . 43.6 mm -62.49 -57.36 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -58.68 -32.83 69.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.4 -43.75 93.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -68.47 -38.17 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 23' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.732 ' HG3' HD12 ' A' ' 39' ' ' ILE . 4.8 tppp? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.752 0.31 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -71.18 -52.12 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -49.26 76.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.474 ' CB ' HD22 ' A' ' 20' ' ' LEU . 7.2 mt -59.68 -54.76 42.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.732 HD12 ' HG3' ' A' ' 35' ' ' LYS . 2.1 mt -51.04 -51.41 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -58.07 -32.51 68.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -52.28 49.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.794 ' HA ' HD12 ' A' ' 45' ' ' LEU . 33.4 t -53.71 -53.77 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.594 HD11 ' HD2' ' A' ' 9' ' ' LYS . 7.4 mt -60.31 -36.04 76.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.43 -29.99 71.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 42' ' ' VAL . 4.7 mt -75.89 -49.94 16.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.738 HD21 HG21 ' A' ' 68' ' ' VAL . 3.0 mt -74.89 -10.05 59.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.9 m -108.25 -70.49 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -12.44 61.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.911 0.386 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -122.84 -178.84 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.608 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -49.72 -33.62 16.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -47.73 82.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.23 -52.78 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.738 HG21 HD21 ' A' ' 46' ' ' LEU . 40.9 t -54.94 -43.14 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.75 -30.07 67.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -65.1 -47.9 75.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.9 mm -70.3 -39.78 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.495 HG13 ' HG2' ' A' ' 11' ' ' LYS . 14.2 t -61.37 -41.25 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.84 -49.62 44.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -41.51 98.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.8 m -63.27 -47.46 82.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -50.54 66.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -42.71 71.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -77.25 -25.7 51.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 44.6 ttm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.848 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.23 -34.39 65.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -80.06 -37.51 33.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.23 -41.62 76.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 1' ' ' SER . 79.3 t -72.53 -50.91 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.17 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t -59.5 -39.62 84.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.2 p -72.06 -51.74 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 m -58.94 -40.55 84.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HB2' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -65.83 -54.72 23.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -51.64 -46.81 63.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HD3' HG12 ' A' ' 72' ' ' VAL . 70.8 mttt -68.77 -55.75 10.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.93 HD21 HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -50.8 -41.64 57.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.92 80.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -76.1 -11.57 59.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -98.3 135.77 39.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -56.37 -179.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mt -53.43 -23.88 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.71 -49.94 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.687 ' OE1' HG21 ' A' ' 75' ' ' THR . 0.2 OUTLIER -56.12 -56.89 15.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.93 HD11 HD21 ' A' ' 12' ' ' LEU . 4.0 mm? -57.8 -33.52 68.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.556 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.93 -48.06 83.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' CB ' HG21 ' A' ' 71' ' ' ILE . 1.3 m-20 -62.88 -41.4 99.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.825 HG21 HG22 ' A' ' 42' ' ' VAL . 36.6 mm -65.92 -57.5 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.638 HD23 ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -60.14 -26.39 66.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.638 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -70.72 -47.76 58.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -69.78 -27.53 64.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' HD12 ' A' ' 27' ' ' LEU . 9.7 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -71.43 -52.05 20.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -47.91 63.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.639 ' HB3' HD12 ' A' ' 20' ' ' LEU . 4.9 mt -62.12 -51.77 66.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.623 HG12 HD23 ' A' ' 12' ' ' LEU . 4.7 mt -50.72 -51.56 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.29 -34.61 76.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -65.94 -44.37 85.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.825 HG22 HG21 ' A' ' 23' ' ' ILE . 43.4 t -61.07 -58.04 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 13.3 mt -53.24 -40.3 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.06 -27.85 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.468 ' HG ' HD23 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.91 -43.71 29.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.965 HD11 HG11 ' A' ' 68' ' ' VAL . 14.1 mt -78.52 -14.15 59.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.4 m -104.22 -67.15 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -13.06 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.402 ' C ' HD12 ' A' ' 63' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.876 0.37 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -106.59 179.7 4.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.516 ' HA ' HD22 ' A' ' 46' ' ' LEU . 36.9 pttt -51.63 -46.11 63.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.91 -41.23 61.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.53 -54.12 22.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.965 HG11 HD11 ' A' ' 46' ' ' LEU . 94.9 t -53.59 -47.22 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.71 -28.95 66.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -64.08 -51.45 63.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.406 HG21 ' CB ' ' A' ' 22' ' ' ASP . 17.3 mm -66.9 -53.32 35.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 68' ' ' VAL . 71.5 t -53.9 -39.58 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -63.97 -49.18 73.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -57.53 -43.02 84.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.687 HG21 ' OE1' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -60.73 -52.02 66.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -46.42 87.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.76 -42.45 68.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -79.06 -26.02 43.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.7 ttm . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.852 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.525 ' O ' HG23 ' A' ' 5' ' ' VAL . 4.2 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.842 0.353 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.89 -25.73 66.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.92 -43.13 36.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.589 HD23 HD13 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -69.95 -39.84 75.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.829 HG22 ' HB2' ' A' ' 46' ' ' LEU . 90.8 t -70.13 -52.11 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -60.42 -40.42 90.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.1 t -69.77 -48.22 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 m -60.35 -42.0 94.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -54.17 35.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -50.87 -50.26 57.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.595 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -66.98 -55.96 12.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.712 HD13 HG21 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -49.01 -42.76 39.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.42 -39.39 77.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -76.19 -11.78 59.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -102.07 135.22 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -52.27 173.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.497 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -50.99 -24.91 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.08 -51.1 18.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.428 ' OE1' HG22 ' A' ' 71' ' ' ILE . 29.6 tp10 -56.07 -54.52 44.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.666 ' CB ' HD13 ' A' ' 38' ' ' LEU . 1.1 mp -60.49 -31.35 70.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.569 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -61.08 -48.1 83.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.639 ' HB3' HG21 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -64.59 -42.07 95.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 68' ' ' VAL . 46.3 mm -63.32 -57.54 11.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.027 HD13 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -59.51 -32.14 70.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.585 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -63.23 -43.62 97.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -70.49 -34.75 72.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.842 HD23 ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.577 ' HE3' HD11 ' A' ' 39' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.796 0.331 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -71.01 -44.2 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -45.22 81.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.027 HD21 HD13 ' A' ' 24' ' ' LEU . 89.9 mt -61.15 -58.07 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.616 HD12 ' CD2' ' A' ' 20' ' ' LEU . 1.3 mp -51.5 -54.49 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' HG22 ' A' ' 39' ' ' ILE . 1.1 t70 -61.43 -30.53 70.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -69.44 -52.53 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.795 ' HA ' HD12 ' A' ' 45' ' ' LEU . 48.4 t -53.46 -55.33 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 5.7 mt -59.83 -36.07 76.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.29 -31.65 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' A' ' 42' ' ' VAL . 3.8 mt -75.38 -50.28 16.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.829 ' HB2' HG22 ' A' ' 5' ' ' VAL . 4.0 mt -72.72 -11.63 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.9 m -107.1 -73.02 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -14.43 59.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.547 HD23 HD22 ' A' ' 45' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.902 0.382 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.2 159.2 38.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -53.84 -34.7 60.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -63.95 -40.35 96.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.58 -53.55 40.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.499 ' HA ' HD12 ' A' ' 23' ' ' ILE . 84.8 t -56.78 -45.32 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.85 -28.23 65.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -63.86 -50.56 68.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.639 HG21 ' HB3' ' A' ' 22' ' ' ASP . 13.0 mm -67.85 -51.68 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.595 HG13 ' HB3' ' A' ' 11' ' ' LYS . 77.3 t -53.66 -40.06 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -66.87 -45.77 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.32 -39.94 80.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -45.2 75.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -64.92 -31.2 72.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.4 -46.23 49.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -37.84 85.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.4 ttp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.867 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.869 0.366 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.15 -21.43 66.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -77.4 -43.78 31.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.81 -41.7 74.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.05 -51.21 51.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -61.62 -38.25 86.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.9 t -72.71 -53.16 12.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.482 ' HA ' HG11 ' A' ' 72' ' ' VAL . 56.1 m -60.09 -38.25 82.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -53.54 24.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -52.07 -44.71 64.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.63 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -72.18 -60.34 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 39' ' ' ILE . 0.5 OUTLIER -48.78 -40.41 28.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.08 68.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -75.4 -7.57 54.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 75' ' ' THR . 9.6 m-85 -98.97 136.56 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -52.84 174.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.632 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.7 mt -50.57 -24.75 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.29 -49.37 23.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.538 ' OE2' HG22 ' A' ' 71' ' ' ILE . 2.2 mm-40 -56.8 -56.04 26.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.785 HD21 HG13 ' A' ' 39' ' ' ILE . 3.6 mt -56.13 -40.45 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -42.73 93.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -62.97 -41.97 99.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.477 HG21 HG22 ' A' ' 42' ' ' VAL . 39.6 mm -62.24 -57.44 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.431 HD12 ' C ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -60.15 -31.88 70.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -45.23 86.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -68.24 -35.85 78.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.601 ' O ' HD12 ' A' ' 27' ' ' LEU . 3.1 tp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.571 ' HA ' HD12 ' A' ' 38' ' ' LEU . 5.0 mtpt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.686 0.279 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -71.68 -45.91 60.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -46.59 89.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.623 ' HB2' HD22 ' A' ' 20' ' ' LEU . 1.7 mt -63.75 -56.92 11.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.785 HG13 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -51.22 -49.29 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' N ' HG22 ' A' ' 39' ' ' ILE . 2.3 t70 -63.67 -31.8 73.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.48 -46.71 63.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.477 HG22 HG21 ' A' ' 23' ' ' ILE . 54.9 t -58.85 -57.52 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 19.7 mt -57.26 -42.55 81.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.58 -22.26 66.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -81.51 -43.66 18.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.842 HD11 HG11 ' A' ' 68' ' ' VAL . 5.3 mt -84.84 -5.59 59.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 78.9 m -112.65 -55.91 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.43 -7.52 58.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.431 HD12 ' C ' ' A' ' 63' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.914 0.388 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.36 -177.95 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -48.9 -30.46 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -49.03 75.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.92 -52.1 52.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.842 HG11 HD11 ' A' ' 46' ' ' LEU . 99.7 t -56.09 -46.08 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.4 -23.97 60.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -67.4 -49.87 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.538 HG22 ' OE2' ' A' ' 19' ' ' GLU . 14.3 mm -74.14 -39.31 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.63 HG13 ' CB ' ' A' ' 11' ' ' LYS . 38.9 t -64.14 -40.35 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -72.76 -44.02 62.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -66.85 -44.82 80.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.569 HG22 ' CZ ' ' A' ' 15' ' ' PHE . 39.2 m -67.18 -39.08 86.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -73.17 -51.46 17.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -58.45 -37.81 76.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -24.97 37.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 5' ' ' VAL . 68.0 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.852 0.358 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.92 -26.09 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.94 -43.51 35.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.487 HD21 ' CB ' ' A' ' 65' ' ' LYS . 2.3 tp -69.4 -41.72 76.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 1' ' ' SER . 90.2 t -67.97 -51.58 47.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m -61.42 -37.84 84.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 64.1 m -73.11 -52.97 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.7 m -59.62 -39.75 85.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -53.77 24.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -50.98 -48.33 61.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -67.15 -57.9 5.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.837 HD11 HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -49.17 -41.19 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.4 -40.85 81.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -76.42 -12.74 60.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -98.55 134.41 41.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -54.17 176.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.752 ' HA ' HD12 ' A' ' 20' ' ' LEU . 2.0 mt -51.5 -24.75 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.62 -49.31 27.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' OE2' HG22 ' A' ' 71' ' ' ILE . 2.5 mm-40 -54.89 -56.96 13.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.837 HD23 HD11 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -59.58 -32.25 70.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.55 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.66 -47.62 84.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -40.34 95.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.613 HG21 HG22 ' A' ' 42' ' ' VAL . 38.9 mm -66.06 -57.23 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.727 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -60.5 -26.45 66.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.618 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -72.17 -43.8 64.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -76.54 -24.84 53.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 24' ' ' LEU . 20.6 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.678 0.275 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -55.16 25.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -48.95 63.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.668 ' HB3' HD22 ' A' ' 20' ' ' LEU . 27.9 mt -55.58 -52.28 64.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.654 ' HA ' HD21 ' A' ' 12' ' ' LEU . 1.3 mt -51.25 -54.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -61.43 -26.61 67.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -50.15 60.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.613 HG22 HG21 ' A' ' 23' ' ' ILE . 25.0 t -60.3 -54.35 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 11.1 mt -57.36 -39.43 75.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.37 -24.88 63.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.49 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.82 -44.91 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.999 HD21 HG21 ' A' ' 68' ' ' VAL . 8.5 mt -80.1 -11.75 59.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.5 m -106.59 -65.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.65 -11.68 60.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 3.4 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.685 ' CB ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.899 0.38 . . . . 0.0 110.945 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.45 -178.97 5.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -50.89 -36.11 36.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.07 -45.09 93.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.87 -53.58 48.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.999 HG21 HD21 ' A' ' 46' ' ' LEU . 84.4 t -54.34 -43.32 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.62 -31.7 69.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -64.05 -50.39 68.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.448 HG22 ' OE2' ' A' ' 19' ' ' GLU . 20.4 mm -66.97 -52.53 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.474 HG13 ' HB3' ' A' ' 11' ' ' LYS . 45.2 t -52.18 -41.14 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -66.7 -42.37 86.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.12 -48.48 78.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -51.07 71.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -46.07 85.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -51.88 -46.61 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -79.68 -25.01 41.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.508 ' O ' HG23 ' A' ' 5' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.06 -31.74 66.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.55 -39.85 44.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 65' ' ' LYS . 1.9 tt -69.64 -41.17 75.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 1' ' ' SER . 74.1 t -71.78 -52.04 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -58.28 -40.95 83.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.2 m -70.26 -50.69 37.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.0 m -58.65 -44.47 90.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -54.05 45.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.18 -44.37 61.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.515 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -69.76 -59.25 3.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.629 HD23 ' CG1' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -49.47 -41.22 39.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.39 79.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -76.53 -11.61 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.524 ' CE1' HG22 ' A' ' 75' ' ' THR . 13.1 m-85 -94.64 133.37 38.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -52.51 173.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -50.3 -25.96 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -49.55 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.32 -54.33 46.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.805 HD23 ' HB2' ' A' ' 38' ' ' LEU . 9.7 mp -54.51 -39.69 67.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -46.24 89.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -43.68 86.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.788 HG21 HG22 ' A' ' 42' ' ' VAL . 47.1 mm -62.25 -57.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -59.56 -31.6 69.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -46.27 83.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -67.18 -35.44 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.6 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.728 ' HG2' HD22 ' A' ' 20' ' ' LEU . 8.1 mtpt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.724 0.297 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -71.99 -47.98 48.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -49.62 77.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.805 ' HB2' HD23 ' A' ' 20' ' ' LEU . 1.4 mt -60.8 -56.47 20.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.629 ' CG1' HD23 ' A' ' 12' ' ' LEU . 3.1 mt -51.52 -50.21 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -58.64 -32.0 68.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -47.29 67.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.788 HG22 HG21 ' A' ' 23' ' ' ILE . 51.8 t -58.35 -57.54 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 13.2 mt -57.15 -43.08 82.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.39 -21.46 66.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.478 HD11 ' O ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -81.26 -42.25 20.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.815 HD11 HG21 ' A' ' 68' ' ' VAL . 4.3 mt -87.77 -4.91 58.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.7 m -112.55 -49.43 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.89 -5.58 44.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 1.9 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.478 ' O ' HD11 ' A' ' 45' ' ' LEU . 1.2 pp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.912 0.387 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.35 -179.65 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.466 ' HB2' HD21 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -50.79 -30.45 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -65.32 -47.55 76.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.85 -52.71 55.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.815 HG21 HD11 ' A' ' 46' ' ' LEU . 97.8 t -55.35 -45.17 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.19 -28.63 64.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -64.36 -49.52 71.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.8 mm -71.13 -40.09 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.515 HG13 ' CB ' ' A' ' 11' ' ' LYS . 37.7 t -59.25 -41.67 84.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -71.31 -49.37 43.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.66 -40.72 93.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.524 HG22 ' CE1' ' A' ' 15' ' ' PHE . 62.6 m -67.49 -42.21 83.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.21 -52.4 48.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -59.16 -36.88 76.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -22.71 41.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 ttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.871 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.4 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.02 -21.43 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -79.04 -41.96 27.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tt -70.02 -39.42 75.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.618 HG22 ' HB2' ' A' ' 46' ' ' LEU . 98.7 t -71.9 -52.22 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -59.18 -41.77 89.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.1 t -68.84 -46.92 67.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.428 ' SG ' HG12 ' A' ' 68' ' ' VAL . 8.7 m -61.44 -39.96 92.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -54.98 21.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -51.42 -50.75 59.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.658 ' CD ' HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -65.17 -57.62 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.55 HD11 ' HG ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -49.31 -41.34 38.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.62 -35.54 77.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -81.25 -11.22 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -102.73 139.29 38.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -50.75 170.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mt -52.66 -22.6 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -49.59 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.33 -53.62 55.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.72 HD21 HG13 ' A' ' 39' ' ' ILE . 6.3 mp -58.44 -31.31 67.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.564 ' HA ' HD22 ' A' ' 24' ' ' LEU . 1.7 tttm -68.42 -45.62 72.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -62.59 -39.47 93.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.572 HG21 HG22 ' A' ' 42' ' ' VAL . 46.3 mm -67.57 -57.75 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -59.54 -26.32 65.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.64 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -74.83 -45.97 39.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -68.79 -28.62 66.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 24' ' ' LEU . 17.8 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.64 ' HD2' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.689 0.28 . . . . 0.0 110.852 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -70.45 -48.11 57.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -48.19 82.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.61 HD21 HD13 ' A' ' 24' ' ' LEU . 71.9 mt -58.93 -56.21 25.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.72 HG13 HD21 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -52.12 -53.69 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' N ' HG22 ' A' ' 39' ' ' ILE . 9.6 t0 -57.34 -30.07 64.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -49.42 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.572 HG22 HG21 ' A' ' 23' ' ' ILE . 44.8 t -57.41 -55.59 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 6.7 mt -59.52 -38.24 80.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.73 -25.73 67.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.482 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -79.74 -44.55 20.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.768 HD21 HG21 ' A' ' 68' ' ' VAL . 6.7 mt -81.6 -6.83 59.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.5 m -112.74 -63.02 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -10.54 59.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 2.3 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.433 ' CB ' HD23 ' A' ' 27' ' ' LEU . 2.1 pp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 p -139.84 179.76 6.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.691 ' HG2' HD22 ' A' ' 46' ' ' LEU . 36.4 mtmt -51.92 -34.7 42.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -46.31 89.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.53 -51.05 67.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.768 HG21 HD21 ' A' ' 46' ' ' LEU . 36.2 t -55.71 -47.25 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.44 -28.65 66.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -49.67 74.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.3 mm -72.32 -34.47 49.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.658 HG13 ' CD ' ' A' ' 11' ' ' LYS . 17.6 t -59.12 -47.1 91.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -74.06 -39.45 63.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -51.8 65.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.3 m -66.85 -38.41 86.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -66.91 -53.69 29.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -59.33 -34.35 72.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.53 -24.17 36.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.887 0.375 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.73 -20.97 66.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -77.36 -45.0 27.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -69.82 -41.27 75.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.0 t -67.78 -51.55 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 t -61.69 -38.25 87.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.0 m -72.33 -52.44 16.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.2 m -60.12 -40.58 90.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -54.27 26.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -51.08 -46.03 61.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HB3' HG13 ' A' ' 72' ' ' VAL . 1.8 mmtp -69.31 -52.02 31.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.684 HD11 HG21 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -53.08 -41.74 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.92 -43.37 75.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -72.79 -14.8 61.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -97.47 132.16 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -50.96 170.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mt -50.27 -25.34 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.83 -49.46 29.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -58.3 -52.89 63.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.716 HD21 HG13 ' A' ' 39' ' ' ILE . 6.6 mp -60.25 -32.92 71.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.53 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -65.01 -47.73 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.85 -41.21 97.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.46 HD13 HG13 ' A' ' 68' ' ' VAL . 82.1 mt -65.72 -58.06 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -59.47 -26.37 65.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.63 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -73.27 -44.37 59.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -75.38 -22.52 57.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 24' ' ' LEU . 26.3 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.608 ' HG3' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.735 0.302 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -52.15 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.99 -47.74 82.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.511 ' CB ' HD23 ' A' ' 20' ' ' LEU . 6.8 mt -58.52 -54.61 45.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.716 HG13 HD21 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -51.55 -49.58 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.83 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' N ' HG22 ' A' ' 39' ' ' ILE . 1.4 t0 -59.37 -32.95 70.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -47.31 69.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.684 HG21 HD11 ' A' ' 12' ' ' LEU . 60.2 t -58.25 -57.03 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 8.1 mt -57.03 -39.38 74.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.64 -25.16 65.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.507 HD22 HD21 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -79.09 -44.34 22.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.988 HD21 HG21 ' A' ' 68' ' ' VAL . 8.2 mt -80.88 -10.21 59.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.5 m -108.25 -63.64 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.17 -10.45 59.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 2.9 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.57 ' HA ' HD23 ' A' ' 27' ' ' LEU . 3.2 pp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.868 0.366 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.67 -179.44 5.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.613 ' HA ' HD22 ' A' ' 46' ' ' LEU . 1.8 mtmt -50.86 -37.12 41.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -42.62 99.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.79 -53.47 46.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.988 HG21 HD21 ' A' ' 46' ' ' LEU . 58.9 t -54.56 -45.3 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.4 -30.96 69.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -62.1 -50.31 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.2 mm -67.12 -51.92 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.449 HG13 ' HB3' ' A' ' 11' ' ' LYS . 54.8 t -52.74 -39.33 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.7 -44.43 77.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -51.73 68.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -42.45 94.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -67.12 -45.61 76.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -45.5 77.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -79.33 -23.46 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.8 ttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.881 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.868 0.366 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.47 -32.54 66.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -78.0 -40.22 39.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.701 HD11 ' HB2' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -69.23 -41.84 76.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 1' ' ' SER . 76.1 t -70.83 -51.85 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 m -58.77 -40.43 83.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.1 m -71.22 -48.98 48.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.6 m -60.0 -44.41 94.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -54.34 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -50.51 -49.76 54.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -65.89 -53.43 39.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.549 HD11 HG21 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -50.98 -43.2 60.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.36 82.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -73.18 -19.3 61.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -97.71 132.45 43.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -51.87 171.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt -51.34 -24.85 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -47.82 -49.74 28.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.83 -53.07 61.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.672 HD21 HG13 ' A' ' 39' ' ' ILE . 6.6 mp -58.5 -31.58 68.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.522 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.59 -47.72 68.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.824 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -41.67 97.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.6 -58.42 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.779 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -60.23 -26.98 66.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.619 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -69.77 -46.53 65.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -68.9 -30.66 69.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.779 HD23 ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.636 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.769 0.319 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -71.67 -47.24 55.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -48.97 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.772 ' CD2' HD13 ' A' ' 24' ' ' LEU . 4.7 mt -62.75 -57.06 12.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.672 HG13 HD21 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -51.52 -50.26 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.837 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -60.56 -32.74 71.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -47.27 68.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.549 HG21 HD11 ' A' ' 12' ' ' LEU . 51.4 t -59.32 -57.56 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 10.8 mt -57.51 -37.33 72.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.49 -27.54 67.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.053 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.485 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -78.04 -44.96 24.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.753 HD21 HG21 ' A' ' 68' ' ' VAL . 10.7 mt -78.49 -11.87 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.5 m -106.99 -67.23 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.27 -12.12 61.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -178.2 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.701 ' HB2' HD11 ' A' ' 4' ' ' LEU . 1.4 pttm -49.5 -31.02 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.37 -45.01 73.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.39 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.753 HG21 HD21 ' A' ' 46' ' ' LEU . 54.7 t -56.7 -43.61 79.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.3 -25.84 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -48.7 70.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.3 mm -75.38 -40.68 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.465 HG13 ' HB3' ' A' ' 11' ' ' LYS . 6.4 t -62.82 -41.93 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.59 -49.27 33.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -60.78 -39.7 89.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.513 HG22 ' SD ' ' A' ' 79' ' ' MET . 87.4 m -69.7 -42.72 73.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -67.94 -52.52 35.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -58.77 -45.96 88.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -32.93 73.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.513 ' SD ' HG22 ' A' ' 75' ' ' THR . 3.1 mtp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.33 -21.23 66.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.71 -43.54 30.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.68 HD11 ' HB3' ' A' ' 65' ' ' LYS . 9.5 tt -69.76 -41.57 75.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.8 t -68.37 -51.44 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -61.55 -38.55 87.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.6 t -72.07 -50.39 28.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.4 m -61.32 -40.05 92.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HB2' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -66.8 -54.74 19.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.88 -48.65 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.629 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -66.58 -58.49 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.569 HD21 HG13 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -49.34 -42.65 42.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.23 -38.58 85.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -74.77 -18.38 60.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -91.33 143.48 26.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -66.43 177.36 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.481 HG23 ' HE2' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -48.66 -26.59 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.57 -49.45 46.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.453 ' OE1' HG22 ' A' ' 71' ' ' ILE . 17.6 tp10 -60.83 -58.07 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.684 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.2 mp -56.27 -30.85 62.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -49.72 66.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -60.42 -41.26 93.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.528 HD12 ' CD1' ' A' ' 12' ' ' LEU . 62.3 mt -64.4 -57.73 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.446 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -58.67 -32.75 69.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -44.54 86.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -68.36 -32.27 72.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 27' ' ' LEU . 9.6 tp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.684 ' HE3' HD22 ' A' ' 20' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.785 0.326 . . . . 0.0 110.924 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -50.63 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.54 -47.15 73.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.684 HD12 ' NZ ' ' A' ' 35' ' ' LYS . 72.4 mt -56.62 -56.52 20.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.683 HG13 HD21 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -52.62 -54.22 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.784 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' HG22 ' A' ' 39' ' ' ILE . 5.4 t70 -57.07 -31.97 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -46.09 59.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.5 t -57.25 -57.52 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 6.7 mt -58.22 -40.91 82.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.94 64.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -80.61 -44.86 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.953 HD11 HG11 ' A' ' 68' ' ' VAL . 7.2 mt -81.68 -8.46 59.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 m -110.5 -61.99 1.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -9.32 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.401 HD12 ' C ' ' A' ' 63' ' ' LEU . 3.7 pp . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.88 -178.51 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.68 ' HB3' HD11 ' A' ' 4' ' ' LEU . 18.9 mtmt -49.07 -30.94 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.71 -51.01 71.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.83 -51.7 56.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.953 HG11 HD11 ' A' ' 46' ' ' LEU . 48.5 t -56.3 -46.27 81.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.09 -26.03 61.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -65.16 -49.92 67.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.453 HG22 ' OE1' ' A' ' 19' ' ' GLU . 16.0 mm -72.66 -40.76 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.629 HG13 ' CB ' ' A' ' 11' ' ' LYS . 42.7 t -64.08 -38.37 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -71.24 -48.54 50.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.0 -43.37 92.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.6 m -62.03 -48.98 77.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.69 -47.91 65.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.71 -43.27 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -79.43 -25.25 42.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.9 tpp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.888 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.896 0.379 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.27 -21.85 66.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.88 -43.11 31.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' A' ' 65' ' ' LYS . 3.8 tt -69.87 -41.3 74.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.01 -51.5 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -60.87 -39.28 88.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.5 m -71.59 -52.56 17.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 m -59.85 -39.39 85.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -54.07 29.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -51.75 -47.49 64.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.626 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -69.25 -60.38 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.026 HD21 HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -47.44 -43.21 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.38 77.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -72.29 -16.89 61.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -96.0 136.32 36.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -55.36 178.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mt -52.34 -24.86 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -48.28 37.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -58.25 -55.47 34.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 1.026 HD11 HD21 ' A' ' 12' ' ' LEU . 4.2 mm? -56.36 -51.89 66.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.561 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -55.04 -48.11 73.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.66 -49.68 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.3 mt -67.91 -59.48 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.649 HD23 ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -50.14 -27.79 6.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.649 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -76.61 -46.16 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -63.62 -37.21 86.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD13 ' CB ' ' A' ' 63' ' ' LEU . 5.3 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.715 0.293 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -71.74 -45.48 61.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -48.1 83.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 20' ' ' LEU . 70.6 mt -62.92 -55.37 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.47 HG12 HD23 ' A' ' 12' ' ' LEU . 5.9 mt -51.66 -55.42 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -56.69 -33.89 66.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.566 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.62 -55.38 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.867 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.465 HG11 HD13 ' A' ' 12' ' ' LEU . 4.9 t -53.98 -50.75 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 15.8 mt -55.07 -37.85 67.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.18 87.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.938 HD23 HD13 ' A' ' 63' ' ' LEU . 10.8 mp -56.47 -52.31 65.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.706 HD21 HG21 ' A' ' 68' ' ' VAL . 1.9 mt -73.62 -25.25 60.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.9 m -80.4 -69.55 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -20.06 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 4.2 mt-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.938 HD13 HD23 ' A' ' 45' ' ' LEU . 3.5 pp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.861 0.363 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.93 173.26 17.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.686 ' HB2' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -54.92 -34.12 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.5 -45.06 92.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.14 -54.02 36.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.706 HG21 HD21 ' A' ' 46' ' ' LEU . 58.4 t -57.56 -44.97 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.89 -24.85 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -66.67 -48.84 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.6 mm -72.73 -39.23 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.626 HG13 ' CB ' ' A' ' 11' ' ' LYS . 15.6 t -63.04 -41.09 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -72.19 -49.15 37.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.16 -39.36 92.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.3 m -67.43 -46.45 73.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -63.89 -51.23 65.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -61.62 -34.75 76.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -78.29 -24.46 46.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 tpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.12 -22.44 65.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.072 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -78.37 -41.93 31.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.467 HD23 HD13 ' A' ' 46' ' ' LEU . 10.4 tt -69.72 -40.35 76.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.732 HG22 ' HB2' ' A' ' 46' ' ' LEU . 95.0 t -70.38 -52.06 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 m -59.82 -41.2 90.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.5 t -69.4 -52.16 29.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.573 ' HA ' HG11 ' A' ' 72' ' ' VAL . 19.9 m -57.25 -41.64 80.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.85 -53.66 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -50.53 -52.35 39.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.591 ' HD3' HG13 ' A' ' 72' ' ' VAL . 1.5 tmpt? -65.87 -48.97 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.477 HD12 HD12 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -52.52 -44.35 65.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.58 -30.69 64.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -76.8 -18.48 58.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.665 ' CZ ' HG22 ' A' ' 75' ' ' THR . 7.4 m-85 -104.28 143.05 33.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -56.36 -179.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mt -57.91 -22.59 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.13 -51.39 18.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.506 ' OE2' HG21 ' A' ' 75' ' ' THR . 4.7 mp0 -61.73 -50.95 70.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.717 HD21 HG13 ' A' ' 39' ' ' ILE . 6.6 mp -59.05 -31.46 68.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.513 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.07 -51.32 55.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -59.21 -42.09 90.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.477 HD12 HD12 ' A' ' 12' ' ' LEU . 97.4 mt -63.79 -58.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.787 HD13 ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -61.19 -27.02 68.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.621 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -67.65 -46.95 70.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -69.99 -34.62 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.566 HD23 ' CA ' ' A' ' 63' ' ' LEU . 4.6 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.654 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.725 0.297 . . . . 0.0 110.867 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -71.71 -48.18 48.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -48.86 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.787 ' CD2' HD13 ' A' ' 24' ' ' LEU . 1.7 mt -63.18 -56.8 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.717 HG13 HD21 ' A' ' 20' ' ' LEU . 1.2 mt -51.42 -50.58 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.47 -31.87 71.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -49.45 65.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.3 -56.65 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 7.7 mt -58.88 -35.13 72.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.61 -29.15 69.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.503 HD21 HG21 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -77.9 -44.45 27.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.732 ' HB2' HG22 ' A' ' 5' ' ' VAL . 9.4 mt -78.89 -11.9 60.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.0 m -107.5 -66.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -12.36 61.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.566 ' CA ' HD23 ' A' ' 27' ' ' LEU . 1.7 pp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.926 0.393 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.57 -177.17 4.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -49.06 -28.85 4.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -60.97 -51.53 68.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.53 -50.79 65.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.076 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 72' ' ' VAL . 98.1 t -57.85 -47.29 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.16 -22.59 61.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -66.79 -48.78 67.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.7 mm -75.47 -39.97 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.591 HG13 ' HD3' ' A' ' 11' ' ' LYS . 78.0 t -62.44 -42.94 97.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.14 -48.73 27.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -52.03 67.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.665 HG22 ' CZ ' ' A' ' 15' ' ' PHE . 32.2 m -61.28 -50.49 72.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -60.64 -42.32 96.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -69.87 -27.91 65.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -77.53 -38.84 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 14.5 ttp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.847 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 76.7 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.4 -21.23 66.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -77.22 -43.94 31.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.554 ' CD2' HD13 ' A' ' 46' ' ' LEU . 5.4 tt -70.06 -41.58 73.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.22 -51.84 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 m -61.56 -40.3 94.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -70.13 -48.32 58.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 m -60.47 -41.2 93.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -54.6 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -51.35 -51.09 57.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.704 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -65.1 -53.3 47.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' CD1' HD12 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -51.36 -43.44 61.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.96 85.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -75.88 -17.67 59.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -95.64 136.47 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 171.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mt -51.02 -25.24 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -47.83 60.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.632 ' OE2' HD11 ' A' ' 23' ' ' ILE . 31.7 tp10 -54.72 -58.75 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.597 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.7 -29.69 70.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.714 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -60.07 -47.57 85.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -40.65 77.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.632 HD11 ' OE2' ' A' ' 19' ' ' GLU . 95.8 mt -62.19 -55.86 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.867 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -60.47 -40.69 92.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.479 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -55.5 -42.12 74.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -71.38 -40.51 70.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.133 HD22 HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' O ' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.736 0.303 . . . . 0.0 110.867 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -68.57 -46.24 69.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.33 -43.84 71.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.757 ' CD2' HD13 ' A' ' 24' ' ' LEU . 96.5 mt -65.15 -54.89 22.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.464 HG13 HD23 ' A' ' 12' ' ' LEU . 1.5 mp -50.93 -53.29 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.3 OUTLIER -61.07 -34.65 75.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.853 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.1 mmt-85 -65.85 -48.3 72.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 12' ' ' LEU . 42.5 t -53.98 -52.02 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 7.7 mt -59.52 -41.51 90.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.81 -26.08 68.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.133 HD11 HD22 ' A' ' 27' ' ' LEU . 42.7 mt -75.66 -52.08 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.971 HD21 HG21 ' A' ' 68' ' ' VAL . 3.5 mt -74.92 -9.88 58.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.0 m -107.54 -70.41 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -10.9 60.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.81 -179.88 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.475 ' HB2' HD11 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -51.51 -32.58 28.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.08 -49.23 78.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.68 -53.66 38.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.971 HG21 HD21 ' A' ' 46' ' ' LEU . 86.2 t -55.62 -45.8 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.5 -28.62 65.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -63.57 -50.64 68.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.1 mm -70.3 -51.88 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.704 HG13 ' HB3' ' A' ' 11' ' ' LYS . 56.3 t -52.71 -39.23 29.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -70.08 -44.53 68.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -39.99 82.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.7 -44.81 63.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -67.81 -29.24 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -53.25 8.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -62.05 -39.7 93.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.7 ttm . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.875 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.895 0.379 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.14 -34.01 68.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -79.05 -39.24 34.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -41.46 78.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 1' ' ' SER . 77.0 t -72.56 -50.4 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -59.99 -37.48 79.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.0 t -74.54 -52.7 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.8 m -58.44 -42.54 87.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -54.54 18.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -51.78 -45.48 63.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.631 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -70.35 -57.58 4.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.845 HD11 HD23 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -49.7 -42.18 45.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.82 -40.43 75.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -74.33 -13.66 60.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -100.76 138.48 37.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -56.77 -178.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.725 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.8 mt -52.29 -24.88 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -46.32 -50.17 16.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.766 ' HG3' HD12 ' A' ' 12' ' ' LEU . 8.0 tp10 -56.33 -53.9 51.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.845 HD23 HD11 ' A' ' 12' ' ' LEU . 2.7 mt -58.99 -34.59 72.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.538 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -59.76 -48.35 82.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -41.19 97.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.752 HG21 HG22 ' A' ' 42' ' ' VAL . 42.9 mm -65.6 -57.25 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.697 HD13 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -60.2 -26.87 66.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.622 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -70.25 -45.31 66.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -73.75 -27.39 61.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' HD12 ' A' ' 27' ' ' LEU . 9.7 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.703 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.733 0.302 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -70.38 -49.9 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -48.47 64.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.697 HD21 HD13 ' A' ' 24' ' ' LEU . 1.9 mt -61.31 -52.32 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 35' ' ' LYS . 1.2 mt -50.32 -49.85 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -32.98 74.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -44.1 69.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.752 HG22 HG21 ' A' ' 23' ' ' ILE . 62.0 t -60.05 -58.5 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 9.8 mt -57.69 -38.81 75.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.37 -25.44 65.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.066 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -78.9 -44.75 22.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.815 HD21 HG21 ' A' ' 68' ' ' VAL . 8.8 mt -80.12 -11.08 59.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.3 m -107.47 -64.83 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -11.13 60.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.891 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.43 -175.05 2.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -47.71 -32.99 6.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.19 -48.69 80.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.6 -49.69 70.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.815 HG21 HD21 ' A' ' 46' ' ' LEU . 41.2 t -56.06 -44.82 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.11 -25.89 61.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -66.74 -48.92 67.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.5 mm -73.43 -38.52 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.631 HG13 ' CB ' ' A' ' 11' ' ' LYS . 41.9 t -64.36 -40.19 88.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -72.53 -48.6 39.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.13 -42.18 99.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.1 m -69.69 -39.69 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -70.77 -43.06 69.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -70.74 -30.21 66.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -40.93 47.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.5 ttm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.878 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.48 -30.42 53.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.83 -41.26 44.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.65 -42.5 74.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.9 t -67.8 -51.31 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -60.61 -40.54 92.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.2 t -71.23 -54.0 12.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 54.9 m -58.35 -39.84 80.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -53.1 49.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -49.89 -52.03 36.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.552 ' CB ' HG13 ' A' ' 72' ' ' VAL . 4.2 mttm -68.48 -42.57 78.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.492 ' CD1' HD22 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -56.17 -43.11 78.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.87 -41.85 70.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -74.02 -13.29 60.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.494 ' CE1' HG22 ' A' ' 75' ' ' THR . 7.1 m-85 -100.82 133.62 45.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -60.32 -169.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.636 HG23 HD13 ' A' ' 38' ' ' LEU . 1.8 mt -62.81 -24.12 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -48.61 -48.65 39.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.403 ' OE1' HD23 ' A' ' 20' ' ' LEU . 11.5 tm-20 -66.83 -53.33 33.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.578 ' O ' HD13 ' A' ' 24' ' ' LEU . 2.1 mt -51.13 -53.88 30.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.03 -39.88 91.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.62 -52.33 55.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.746 HG22 ' CD1' ' A' ' 27' ' ' LEU . 20.8 mm -69.27 -34.37 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.589 ' CD2' HD23 ' A' ' 38' ' ' LEU . 6.0 mp -62.55 -58.84 6.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -57.09 -38.66 73.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -75.36 -19.88 59.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.746 ' CD1' HG22 ' A' ' 23' ' ' ILE . 10.6 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.586 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.733 0.301 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -72.81 -47.55 45.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -48.51 81.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.636 HD13 HG23 ' A' ' 17' ' ' ILE . 1.3 mt -60.22 -58.17 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -52.87 -50.18 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -62.56 -28.36 69.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -66.94 -50.89 60.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.31 -54.17 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.468 HD21 HD22 ' A' ' 12' ' ' LEU . 26.3 mt -58.31 -36.42 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.71 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.458 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.21 -44.33 30.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.054 HD21 HG21 ' A' ' 68' ' ' VAL . 12.6 mt -78.43 -12.26 60.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.1 m -106.24 -67.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.73 -12.95 61.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.613 ' CA ' HD23 ' A' ' 27' ' ' LEU . 3.6 pp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.95 0.405 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.04 -178.17 4.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.0 -37.25 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -61.33 -41.72 97.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.6 -50.06 68.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.054 HG21 HD21 ' A' ' 46' ' ' LEU . 24.7 t -55.32 -47.58 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.01 -24.09 60.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -66.35 -49.11 68.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.584 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.0 mm -74.39 -40.59 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.552 HG13 ' CB ' ' A' ' 11' ' ' LYS . 43.9 t -61.22 -41.84 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -72.45 -48.49 40.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.11 -43.55 98.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.494 HG22 ' CE1' ' A' ' 15' ' ' PHE . 62.7 m -66.79 -43.36 84.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -67.09 -53.37 31.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -56.88 -36.13 69.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -80.79 -24.9 38.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.526 0.048 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.21 -21.68 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -77.65 -43.63 30.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 65' ' ' LYS . 10.1 tt -69.93 -41.2 74.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.1 t -68.67 -51.14 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -61.56 -38.1 86.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.4 p -72.71 -52.76 13.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.401 ' HA ' HG11 ' A' ' 72' ' ' VAL . 52.3 m -60.14 -40.02 88.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HB2' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.27 -54.05 24.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -50.93 -47.01 61.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.552 ' HB3' HG13 ' A' ' 72' ' ' VAL . 1.0 OUTLIER -70.13 -52.48 23.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.558 HD23 HG12 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -51.6 -42.81 62.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.42 -43.89 72.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -70.65 -14.52 62.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.543 ' CE1' ' HE2' ' A' ' 79' ' ' MET . 12.1 m-85 -100.98 136.51 40.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -53.93 176.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 mt -52.02 -24.37 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.02 -50.85 14.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.492 ' OE1' HG22 ' A' ' 72' ' ' VAL . 2.6 mm-40 -57.48 -55.54 33.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.897 ' O ' HD22 ' A' ' 24' ' ' LEU . 2.2 mp -54.29 -53.61 51.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -45.47 20.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.79 -43.58 90.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 68' ' ' VAL . 32.3 mm -56.97 -53.09 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.897 HD22 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -62.51 -50.19 72.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -47.46 -34.88 7.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.437 ' OE1' HD11 ' A' ' 71' ' ' ILE . 20.6 mt-30 -77.0 -37.13 55.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.837 HD23 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.687 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.768 0.318 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -55.39 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -46.21 79.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 35' ' ' LYS . 4.2 mt -58.64 -52.55 65.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.771 HG13 HD21 ' A' ' 20' ' ' LEU . 1.1 mt -51.23 -50.25 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -58.92 -34.63 71.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -45.44 77.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.407 HG11 HD13 ' A' ' 12' ' ' LEU . 54.7 t -57.79 -54.96 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 9' ' ' LYS . 11.5 mt -58.38 -37.47 75.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.83 -26.45 66.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -78.61 -43.87 25.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.004 HD11 HG11 ' A' ' 68' ' ' VAL . 10.0 mt -80.13 -11.53 59.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.6 m -106.68 -64.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -11.83 60.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.542 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.6 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.905 0.383 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.78 -175.8 5.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.676 ' HB2' HD11 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -48.42 -31.07 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -58.89 -49.85 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.03 -51.48 54.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.076 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.004 HG11 HD11 ' A' ' 46' ' ' LEU . 88.7 t -55.42 -47.15 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.5 -27.23 63.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -63.53 -51.05 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.437 HD11 ' OE1' ' A' ' 26' ' ' GLN . 15.3 mm -70.87 -52.06 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' A' ' 11' ' ' LYS . 71.1 t -51.82 -40.53 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.53 -45.88 67.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.49 -52.51 65.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -43.07 98.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -65.85 -32.5 74.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -52.64 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -60.91 -45.02 96.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.543 ' HE2' ' CE1' ' A' ' 15' ' ' PHE . 1.3 tmm? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.17 -31.88 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.33 -39.15 40.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tt -68.91 -39.8 79.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -72.68 -51.82 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -58.96 -42.0 88.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 97.4 p -68.47 -54.73 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 m -52.66 -39.35 61.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -49.15 65.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -54.36 28.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.803 ' HG3' HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -65.06 -47.62 76.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.706 ' CD1' HG21 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -54.88 -41.73 71.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.5 -41.09 80.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -69.0 -20.49 64.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.447 ' CZ ' HG22 ' A' ' 75' ' ' THR . 0.8 OUTLIER -95.44 132.6 40.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -54.35 176.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.618 HG23 HD12 ' A' ' 38' ' ' LEU . 3.7 mt -55.14 -23.47 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.09 -49.27 42.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.683 ' CG ' HG22 ' A' ' 72' ' ' VAL . 10.6 tp10 -63.26 -58.78 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.481 ' CD2' HD21 ' A' ' 12' ' ' LEU . 2.9 mp -54.4 -30.62 52.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' HD23 ' A' ' 24' ' ' LEU . 7.8 tptm -68.12 -56.04 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -54.31 -42.18 69.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.783 HD11 ' HB ' ' A' ' 71' ' ' ILE . 29.6 mm -64.4 -50.03 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -66.69 -26.25 66.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.558 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -76.6 -37.95 55.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -78.78 -29.41 44.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 63' ' ' LEU . 16.6 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.712 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.684 0.278 . . . . 0.0 110.838 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.43 -51.31 53.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.05 -48.9 75.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.618 HD12 HG23 ' A' ' 17' ' ' ILE . 20.1 mt -56.78 -53.97 51.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -50.87 -54.8 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.438 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.8 OUTLIER -60.55 -28.72 68.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -52.55 55.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.828 ' HA ' HD12 ' A' ' 45' ' ' LEU . 19.2 t -57.72 -52.9 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 11.1 mt -56.1 -38.66 71.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.67 71.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.828 HD12 ' HA ' ' A' ' 42' ' ' VAL . 6.9 mt -75.24 -49.78 18.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.642 HD22 ' HA ' ' A' ' 65' ' ' LYS . 2.9 mt -73.39 -12.31 60.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.0 m -106.14 -72.66 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.25 -14.21 60.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.687 ' HA ' HD23 ' A' ' 27' ' ' LEU . 2.6 pp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.867 0.365 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -131.55 -179.65 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.642 ' HA ' HD22 ' A' ' 46' ' ' LEU . 3.7 pttt -51.02 -40.16 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -42.5 94.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.2 -51.31 61.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.753 ' HA ' HD12 ' A' ' 23' ' ' ILE . 24.7 t -52.84 -51.0 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.14 -25.46 62.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -49.95 70.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.783 ' HB ' HD11 ' A' ' 23' ' ' ILE . 17.1 mm -67.71 -53.45 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.803 HG11 ' HG3' ' A' ' 11' ' ' LYS . 23.3 t -56.07 -35.0 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.1 -49.76 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.08 -40.07 90.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.447 HG22 ' CZ ' ' A' ' 15' ' ' PHE . 5.7 m -61.63 -48.25 81.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.41 ' HA ' ' HB3' ' A' ' 79' ' ' MET . 0.0 OUTLIER -67.83 -42.89 80.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -49.34 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.42 -25.91 41.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.41 ' HB3' ' HA ' ' A' ' 76' ' ' TYR . 7.1 ttp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' SER . . . . . 0.583 ' O ' HG23 ' A' ' 5' ' ' VAL . 4.9 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.46 -25.41 65.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.053 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -75.55 -44.35 43.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.966 HD23 HD13 ' A' ' 46' ' ' LEU . 2.9 tp -70.19 -39.94 74.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 1.01 HG22 HD11 ' A' ' 46' ' ' LEU . 98.1 t -67.49 -51.36 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -63.75 -36.65 84.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.2 m -72.98 -52.75 13.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 55.7 m -60.3 -43.63 96.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -54.41 24.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -51.25 -47.55 62.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -68.97 -59.49 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' CD1' HD12 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -47.81 -42.71 26.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.52 -41.72 79.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -71.59 -16.64 62.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -95.51 134.12 38.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -53.0 173.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.4 ' HA ' HD13 ' A' ' 20' ' ' LEU . 1.5 mt -49.88 -25.48 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -50.22 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.451 ' OE1' HG22 ' A' ' 71' ' ' ILE . 42.8 tp10 -56.94 -55.2 37.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.649 ' HB3' HD13 ' A' ' 38' ' ' LEU . 4.9 mp -59.97 -30.9 69.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.515 ' O ' HD23 ' A' ' 24' ' ' LEU . 1.3 tptt -64.36 -47.71 78.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -62.73 -41.04 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.705 HG22 HD11 ' A' ' 27' ' ' LEU . 65.2 mt -64.99 -57.59 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.988 HD13 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -59.54 -28.25 66.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.585 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -70.14 -42.22 72.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -78.82 -19.89 51.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.705 HD11 HG22 ' A' ' 23' ' ' ILE . 18.5 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.676 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.711 0.291 . . . . 0.0 110.942 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -70.6 -52.21 23.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.16 -45.19 61.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.988 HD21 HD13 ' A' ' 24' ' ' LEU . 72.8 mt -63.54 -54.93 28.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -51.4 -55.1 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' HG22 ' A' ' 39' ' ' ILE . 1.1 t0 -59.67 -31.93 70.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -50.33 65.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.481 HG13 HG11 ' A' ' 68' ' ' VAL . 38.3 t -55.84 -54.21 29.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.592 ' HA ' HD23 ' A' ' 46' ' ' LEU . 6.7 mt -61.93 -30.25 70.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.23 -53.43 55.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.102 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 6.4 mp -69.51 -41.46 76.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.01 HD11 HG22 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -68.1 -23.35 64.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.4 m -103.26 -76.2 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.36 -23.89 6.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 1.4 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.483 ' CB ' HD23 ' A' ' 27' ' ' LEU . 2.0 pp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.896 0.379 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.94 178.85 4.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -32.81 32.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.39 -42.64 87.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.9 -53.38 47.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.693 HG13 HD13 ' A' ' 23' ' ' ILE . 54.1 t -55.93 -46.35 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.94 -28.41 65.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -50.68 67.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.451 HG22 ' OE1' ' A' ' 19' ' ' GLU . 20.1 mm -66.98 -51.94 49.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.479 HG13 ' HB3' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -52.95 -42.1 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -65.48 -43.66 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.12 -37.19 81.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -43.9 77.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -52.91 42.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -59.1 -38.67 80.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -21.03 44.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.1 25.97 10.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 110.855 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 61.42 47.83 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 13.5 mtm -145.28 83.42 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' ALA . . . . . 0.574 ' HB2' ' CD2' ' A' ' 92' ' ' HIS . . . -114.26 -12.29 12.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p -49.95 -54.5 19.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.71 -21.47 66.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.054 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -78.52 -42.68 28.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 65' ' ' LYS . 7.8 tt -69.79 -40.52 75.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.0 t -70.22 -50.86 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -61.51 -37.64 84.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.5 m -73.11 -52.56 13.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.8 m -60.03 -41.33 92.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -53.73 26.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.35 -48.6 55.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.552 ' HB3' HG13 ' A' ' 72' ' ' VAL . 6.3 mptt -68.95 -55.55 10.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -48.89 -42.43 36.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.35 -43.72 73.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -71.37 -13.79 61.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -98.95 135.29 40.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -52.29 173.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt -50.07 -25.52 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.55 -49.31 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.658 ' OE1' HD11 ' A' ' 23' ' ' ILE . 2.2 tm-20 -54.03 -55.12 30.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.765 HD22 ' HB2' ' A' ' 38' ' ' LEU . 1.2 mp -62.28 -32.19 72.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.541 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -59.53 -51.76 68.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.537 ' HB3' HG21 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -63.45 -41.12 98.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.825 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.658 HD11 ' OE1' ' A' ' 19' ' ' GLU . 42.9 mt -63.49 -57.98 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.707 HD13 ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -61.86 -27.08 68.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.595 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -67.34 -46.83 72.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -70.92 -32.8 69.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.66 HD23 ' CB ' ' A' ' 63' ' ' LEU . 4.2 mt -67.43 -33.18 74.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.07 27.23 6.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.424 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 24' ' ' LEU . 20.2 mt -82.38 159.87 63.54 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.572 0.701 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 166.29 28.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 tmpt? -62.55 -24.26 67.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.02 -173.12 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.13 91.65 2.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -58.41 174.38 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.687 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -51.61 -38.72 55.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -70.55 -50.77 34.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -48.71 67.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.765 ' HB2' HD22 ' A' ' 20' ' ' LEU . 5.3 mt -61.46 -54.22 46.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.759 HG13 HD21 ' A' ' 20' ' ' LEU . 1.3 mt -50.54 -50.2 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -31.41 71.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -47.73 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 12' ' ' LEU . 53.1 t -58.57 -57.58 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 13.1 mt -56.7 -42.29 78.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.02 -21.61 65.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.487 HD22 HD21 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -80.81 -42.53 21.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.847 HD21 HG21 ' A' ' 68' ' ' VAL . 5.6 mt -86.27 -6.76 58.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.8 m -110.34 -53.23 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.01 -7.64 53.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -133.42 21.35 3.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.486 ' NE2' ' H ' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -47.08 -27.95 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.486 ' H ' ' NE2' ' A' ' 50' ' ' GLN . . . 51.78 27.25 19.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -59.79 -24.82 64.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.916 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -118.23 22.28 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -146.55 56.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -102.08 172.51 6.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.18 43.17 0.44 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.726 ' CH2' HG21 ' A' ' 64' ' ' THR . 0.0 OUTLIER -115.7 -75.61 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 0.0 110.867 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.15 -48.88 4.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.78 19.09 9.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.386 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.86 25.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.445 ' C ' ' ND2' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -84.49 6.03 25.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.8 m -66.19 -8.94 27.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.66 ' CB ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -118.09 26.51 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.726 HG21 ' CH2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -118.13 -179.86 3.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.803 ' HB3' HD11 ' A' ' 4' ' ' LEU . 1.7 mtmp? -53.14 -39.42 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -54.56 -45.18 73.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.56 -54.3 25.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.847 HG21 HD21 ' A' ' 46' ' ' LEU . 93.2 t -54.37 -44.3 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.29 73.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -62.1 -50.01 73.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.631 HG22 ' OE2' ' A' ' 19' ' ' GLU . 23.4 mm -65.93 -52.64 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' A' ' 11' ' ' LYS . 76.6 t -52.02 -40.85 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.13 -46.05 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -60.61 -34.77 74.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -39.14 70.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.48 -52.28 41.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -62.61 -36.11 81.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -78.93 -24.26 44.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.8 ttp -69.86 -57.02 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -149.11 13.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.428 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 17.2 mt 69.23 -70.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 53.43 -174.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 4.0 t -100.52 48.5 0.91 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 83' ' ' CYS . . . 66.52 136.1 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.565 0.698 . . . . 0.0 111.118 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -3.77 12.65 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.8 t0 66.01 34.0 7.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 tt -49.93 -43.08 49.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -179.47 -34.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.9 m 64.68 23.91 12.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.25 23.83 7.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.9 m -99.33 56.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' -1' ' ' ALA . 23.6 m80 -148.65 -75.16 0.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.01 129.35 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.97 105.26 2.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.97 14.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.814 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.71 -6.19 7.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.73 13.26 28.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.4 m -91.88 -170.07 2.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 62.26 44.78 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.37 157.03 1.29 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -171.69 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.673 2.249 . . . . 0.0 112.334 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -119.51 34.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.83 26.1 15.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 52.21 34.09 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 29.9 t -65.57 -73.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -151.63 45.99 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 27.9 mtm -146.08 83.78 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -116.29 -10.8 11.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 p -50.01 -54.91 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.1 -21.35 66.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.7 -42.17 29.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tt -70.0 -40.05 75.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.651 HG22 ' HB2' ' A' ' 46' ' ' LEU . 96.1 t -70.97 -52.06 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -59.75 -40.99 89.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.8 m -69.68 -47.3 63.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.8 m -60.66 -40.15 91.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -54.63 22.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -51.1 -48.97 61.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.582 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -67.85 -54.01 22.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.487 HD21 HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -50.17 -43.78 52.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.44 -38.22 77.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -73.07 -17.56 61.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -99.27 135.63 40.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -52.88 173.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mt -50.01 -25.85 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.14 -49.96 30.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -54.59 -54.64 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.663 ' HB3' HD13 ' A' ' 38' ' ' LEU . 1.8 mp -62.14 -32.01 72.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.584 ' O ' HD23 ' A' ' 24' ' ' LEU . 1.2 tttp -60.0 -48.88 79.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.84 -38.15 82.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.637 HG22 HD12 ' A' ' 27' ' ' LEU . 58.3 mt -65.14 -54.11 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.991 HD13 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -63.94 -33.06 74.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.542 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -64.56 -42.47 95.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -77.22 -31.61 55.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.637 HD12 HG22 ' A' ' 23' ' ' ILE . 6.1 mt -67.41 -33.09 74.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.09 43.03 3.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.42 HD23 ' HB3' ' A' ' 27' ' ' LEU . 4.6 mm? -114.81 67.26 1.92 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.415 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 53.9 Cg_endo -69.75 -160.52 0.07 OUTLIER 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.309 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 9.2 mtmt 77.4 -57.01 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.79 -169.67 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.22 70.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.422 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.97 172.39 6.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.696 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -52.94 -45.0 67.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.877 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -71.44 -52.09 20.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.11 -46.47 65.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.991 HD21 HD13 ' A' ' 24' ' ' LEU . 70.9 mt -64.27 -55.54 20.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -51.28 -55.07 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -61.3 -30.33 70.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -69.13 -49.0 60.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.416 HG21 HD13 ' A' ' 12' ' ' LEU . 50.8 t -58.27 -55.71 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 7.9 mt -59.01 -37.95 78.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.1 66.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -79.12 -44.55 21.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.651 ' HB2' HG22 ' A' ' 5' ' ' VAL . 8.0 mt -80.9 -10.09 59.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.0 m -108.86 -63.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -10.43 59.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -131.72 23.43 4.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -56.41 -20.93 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.25 48.25 76.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.455 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -94.82 37.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -139.81 -38.35 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -174.64 56.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -76.22 -170.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.64 30.45 0.97 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.93 -23.54 9.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.319 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.59 45.17 2.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -26.66 47.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.64 65.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.407 HD22 ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -126.15 -4.49 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.668 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 1.1 m 50.9 45.59 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.517 ' CA ' HD23 ' A' ' 27' ' ' LEU . 4.2 pp -151.52 20.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -129.76 -177.6 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.436 ' H ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -48.66 -32.18 7.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -48.01 82.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.668 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -64.1 -50.85 66.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.71 -45.94 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.26 -24.61 61.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -66.84 -49.42 65.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.9 mm -73.46 -39.02 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.582 HG13 ' CB ' ' A' ' 11' ' ' LYS . 13.8 t -64.84 -39.13 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.43 ' OD2' HD22 ' A' ' 87' ' ' LEU . 54.9 m-20 -72.59 -48.89 36.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -63.75 -37.56 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.5 m -75.04 -35.51 61.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -75.25 -34.93 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -78.78 -34.78 45.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -34.91 52.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.7 ttm -78.77 -47.8 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.17 -43.73 32.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 81' ' ' ILE . 6.4 mt 64.53 24.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -73.04 -169.48 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 31.2 m -83.44 55.53 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 83' ' ' CYS . . . 66.56 127.19 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.597 0.713 . . . . 0.0 111.082 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -2.93 11.01 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.648 2.232 . . . . 0.0 112.348 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.0 t0 69.09 55.73 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.46 HD11 ' HG2' ' A' ' 90' ' ' ARG . 43.4 tp -66.69 -10.89 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 67.21 25.1 9.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 m 62.91 16.68 9.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.46 ' HG2' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER 54.26 25.71 6.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 m -92.45 43.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -117.19 -26.68 6.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 p -178.94 64.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.86 119.48 3.33 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 p -118.88 7.44 11.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.878 0.371 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.84 24.04 3.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.8 t80 61.89 19.8 10.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 m 62.88 51.02 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -98.81 54.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.61 160.5 0.75 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.613 0.72 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -171.27 0.45 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.32 32.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 51.37 38.89 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.98 84.79 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.075 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 1.2 t -176.34 -59.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -146.27 95.72 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' MET . . . . . 0.4 ' O ' ' HB3' ' A' ' -1' ' ' ALA . 21.8 mtm -131.8 -77.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' -1' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' -2' ' ' MET . . . 66.33 13.51 9.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m -58.73 -57.08 14.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.4 -21.83 64.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.66 -42.22 35.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 65' ' ' LYS . 2.1 tt -70.08 -40.39 75.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.07 -52.15 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 t -60.09 -42.3 94.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.1 m -68.41 -42.05 79.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 m -62.44 -44.01 97.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.594 ' HD2' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -64.14 -55.47 21.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -50.97 -51.71 49.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.495 ' HG2' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -64.4 -52.67 57.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.004 HD21 HD21 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -51.19 -43.98 61.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.69 76.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.108 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -80.18 -12.98 59.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.409 ' HE2' HG13 ' A' ' 72' ' ' VAL . 17.1 m-85 -97.93 5.88 48.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? 64.25 -167.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.777 ' HA ' HD12 ' A' ' 20' ' ' LEU . 3.2 mt -64.53 -24.65 36.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -49.53 18.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -53.64 55.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.004 HD21 HD21 ' A' ' 12' ' ' LEU . 2.0 mt -57.96 -39.83 79.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -46.01 82.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -42.17 99.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.591 ' O ' HD12 ' A' ' 27' ' ' LEU . 43.6 mm -62.49 -57.36 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.466 ' HB2' ' NE2' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -58.68 -32.83 69.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.4 -43.75 93.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -68.47 -38.17 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -67.61 -33.29 74.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.01 39.78 6.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 mp -129.6 59.78 47.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.581 0.705 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 77.12 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.738 2.292 . . . . 0.0 112.362 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.11 55.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.466 ' NE2' ' HB2' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -100.69 -173.91 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.407 ' H ' ' HB3' ' A' ' 37' ' ' ASP . . . -100.47 -124.2 5.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.48 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.94 -173.02 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.732 ' HG3' HD12 ' A' ' 39' ' ' ILE . 4.8 tppp? -48.12 -31.82 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -71.18 -52.12 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.407 ' HB3' ' H ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -57.08 -49.26 76.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.474 ' CB ' HD22 ' A' ' 20' ' ' LEU . 7.2 mt -59.68 -54.76 42.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.732 HD12 ' HG3' ' A' ' 35' ' ' LYS . 2.1 mt -51.04 -51.41 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -58.07 -32.51 68.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -52.28 49.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.794 ' HA ' HD12 ' A' ' 45' ' ' LEU . 33.4 t -53.71 -53.77 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.594 HD11 ' HD2' ' A' ' 9' ' ' LYS . 7.4 mt -60.31 -36.04 76.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.43 -29.99 71.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 42' ' ' VAL . 4.7 mt -75.89 -49.94 16.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.738 HD21 HG21 ' A' ' 68' ' ' VAL . 3.0 mt -74.89 -10.05 59.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.9 m -108.25 -70.49 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -12.44 61.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.06 23.94 5.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -16.48 25.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.79 30.18 8.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.423 ' HB2' HG23 ' A' ' 64' ' ' THR . 2.3 mm100 -93.86 21.71 6.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -82.78 -10.35 58.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -70.47 153.09 43.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -51.95 164.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.08 47.16 0.9 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.81 -72.02 0.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.907 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.98 -48.36 3.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -94.81 33.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 61' ' ' ASN . 1.7 ttpm? 66.31 35.39 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER 32.85 51.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.685 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 72.5 m -77.72 45.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.44 ' H ' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -151.55 17.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.423 HG23 ' HB2' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -122.84 -178.84 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.608 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -49.72 -33.62 16.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -47.73 82.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.685 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -62.23 -52.78 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.738 HG21 HD21 ' A' ' 46' ' ' LEU . 40.9 t -54.94 -43.14 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.75 -30.07 67.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -65.1 -47.9 75.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.9 mm -70.3 -39.78 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.495 HG13 ' HG2' ' A' ' 11' ' ' LYS . 14.2 t -61.37 -41.25 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.84 -49.62 44.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -41.51 98.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.8 m -63.27 -47.46 82.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -50.54 66.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 81' ' ' ILE . 0.3 OUTLIER -54.61 -42.71 71.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -77.25 -25.7 51.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 44.6 ttm -64.66 -57.53 8.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.24 24.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 6.0 mt 48.12 30.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.53 167.59 14.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 68.16 -78.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 49.33 66.32 5.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.56 0.695 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -7.65 21.59 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.679 2.252 . . . . 0.0 112.36 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 t70 64.19 74.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.1 tp -54.4 -24.03 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 64.65 24.72 13.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.1 m 58.67 21.8 9.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.04 24.03 7.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 m -97.91 88.22 4.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -174.11 32.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -176.67 144.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -100.36 -113.49 3.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.16 11.34 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.355 . . . . 0.0 110.846 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -120.63 -2.26 9.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.61 8.99 35.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 m -167.06 43.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -72.82 78.32 1.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -50.6 136.15 25.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -171.99 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.256 . . . . 0.0 112.341 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.07 34.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.27 -31.25 20.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 59.96 37.5 21.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 8.5 p -52.14 -74.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -96.12 43.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 10.3 mmt -151.75 89.11 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 1' ' ' SER . . . -87.83 18.02 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.3 OUTLIER 77.07 -6.9 1.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.23 -34.39 65.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -80.06 -37.51 33.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.23 -41.62 76.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 1' ' ' SER . 79.3 t -72.53 -50.91 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.17 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t -59.5 -39.62 84.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.2 p -72.06 -51.74 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 m -58.94 -40.55 84.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HB2' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -65.83 -54.72 23.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -51.64 -46.81 63.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HD3' HG12 ' A' ' 72' ' ' VAL . 70.8 mttt -68.77 -55.75 10.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.93 HD21 HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -50.8 -41.64 57.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.92 80.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -76.1 -11.57 59.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -98.3 135.77 39.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -56.37 -179.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mt -53.43 -23.88 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.71 -49.94 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.687 ' OE1' HG21 ' A' ' 75' ' ' THR . 0.2 OUTLIER -56.12 -56.89 15.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.93 HD11 HD21 ' A' ' 12' ' ' LEU . 4.0 mm? -57.8 -33.52 68.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.556 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.93 -48.06 83.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' CB ' HG21 ' A' ' 71' ' ' ILE . 1.3 m-20 -62.88 -41.4 99.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.825 HG21 HG22 ' A' ' 42' ' ' VAL . 36.6 mm -65.92 -57.5 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.638 HD23 ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -60.14 -26.39 66.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.638 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -70.72 -47.76 58.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -69.78 -27.53 64.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' HD12 ' A' ' 27' ' ' LEU . 9.7 tp -69.55 -10.94 60.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.591 ' C ' HD12 ' A' ' 29' ' ' LEU . . . 109.04 11.35 22.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.591 HD12 ' C ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER 54.71 95.59 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.643 0.735 . . . . 0.0 110.9 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.58 52.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -47.21 -34.04 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -164.18 -175.15 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.65 97.78 0.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.25 -174.94 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.861 0.363 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -44.44 58.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -71.43 -52.05 20.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -47.91 63.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.639 ' HB3' HD12 ' A' ' 20' ' ' LEU . 4.9 mt -62.12 -51.77 66.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.623 HG12 HD23 ' A' ' 12' ' ' LEU . 4.7 mt -50.72 -51.56 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.29 -34.61 76.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -65.94 -44.37 85.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.825 HG22 HG21 ' A' ' 23' ' ' ILE . 43.4 t -61.07 -58.04 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 13.3 mt -53.24 -40.3 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.06 -27.85 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.468 ' HG ' HD23 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.91 -43.71 29.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.965 HD11 HG11 ' A' ' 68' ' ' VAL . 14.1 mt -78.52 -14.15 59.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.4 m -104.22 -67.15 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -13.06 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -131.73 26.37 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.81 -24.3 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.67 45.61 74.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -55.39 -24.75 31.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -172.52 68.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.44 -42.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -146.42 72.75 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -123.47 64.96 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.507 ' HZ3' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -118.53 -69.97 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.331 . . . . 0.0 110.932 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.19 -36.04 3.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -86.47 11.2 13.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.52 -36.4 13.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -159.63 20.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.688 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 4.1 p 45.07 43.72 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.507 HD11 ' HZ3' ' A' ' 57' ' ' TRP . 1.1 pp -126.71 7.45 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -106.59 179.7 4.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.516 ' HA ' HD22 ' A' ' 46' ' ' LEU . 36.9 pttt -51.63 -46.11 63.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.91 -41.23 61.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.688 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -67.53 -54.12 22.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.052 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.965 HG11 HD11 ' A' ' 46' ' ' LEU . 94.9 t -53.59 -47.22 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.71 -28.95 66.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -64.08 -51.45 63.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.406 HG21 ' CB ' ' A' ' 22' ' ' ASP . 17.3 mm -66.9 -53.32 35.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 68' ' ' VAL . 71.5 t -53.9 -39.58 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -63.97 -49.18 73.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -57.53 -43.02 84.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.687 HG21 ' OE1' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -60.73 -52.02 66.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -46.42 87.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.76 -42.45 68.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -79.06 -26.02 43.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.7 ttm -64.09 -57.09 10.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.42 25.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.417 HG22 ' O ' ' A' ' 81' ' ' ILE . 6.0 mt 48.55 29.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.57 153.21 21.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 51.17 43.17 29.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -111.52 73.83 1.12 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -6.07 17.68 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.4 t0 67.57 82.34 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.69 -24.86 6.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 66.42 31.83 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m 53.2 28.04 6.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.78 22.61 10.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 56.9 m -94.46 90.74 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.26 36.23 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.823 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.98 79.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -110.57 -98.75 2.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.1 p -179.54 28.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.892 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -125.8 -5.24 6.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.22 12.72 33.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -99.68 80.23 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.2 t80 51.98 49.22 21.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.13 108.01 0.88 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 95.09 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.27 32.65 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 51.57 38.96 23.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.36 84.63 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -168.49 -44.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.9 0.381 . . . . 0.0 110.846 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' -3' ' ' HIS . . . . . 0.643 ' HA ' ' HB3' ' A' ' 2' ' ' ALA . 0.2 OUTLIER -176.53 93.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 61.3 mtm -151.84 62.22 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' ALA . . . . . 0.409 ' HB2' ' HB2' ' A' ' 93' ' ' SER . . . 47.64 42.74 15.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.525 ' O ' HG23 ' A' ' 5' ' ' VAL . 4.2 t 178.4 -29.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' A' ' -3' ' ' HIS . . . -66.89 -25.73 66.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.92 -43.13 36.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.589 HD23 HD13 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -69.95 -39.84 75.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.829 HG22 ' HB2' ' A' ' 46' ' ' LEU . 90.8 t -70.13 -52.11 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -60.42 -40.42 90.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.1 t -69.77 -48.22 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 m -60.35 -42.0 94.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -54.17 35.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -50.87 -50.26 57.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.595 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -66.98 -55.96 12.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.712 HD13 HG21 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -49.01 -42.76 39.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.42 -39.39 77.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -76.19 -11.78 59.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -102.07 135.22 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -52.27 173.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.497 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -50.99 -24.91 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.08 -51.1 18.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.428 ' OE1' HG22 ' A' ' 71' ' ' ILE . 29.6 tp10 -56.07 -54.52 44.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.666 ' CB ' HD13 ' A' ' 38' ' ' LEU . 1.1 mp -60.49 -31.35 70.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.569 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -61.08 -48.1 83.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.639 ' HB3' HG21 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -64.59 -42.07 95.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 68' ' ' VAL . 46.3 mm -63.32 -57.54 11.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.027 HD13 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -59.51 -32.14 70.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.585 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -63.23 -43.62 97.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -70.49 -34.75 72.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.842 HD23 ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -67.84 -18.76 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.54 4.58 32.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.76 HD23 HD11 ' A' ' 24' ' ' LEU . 0.9 OUTLIER 60.56 112.74 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.582 0.706 . . . . 0.0 110.931 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.723 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.72 -168.7 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.343 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -15.98 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -127.16 -174.74 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.57 19.02 0.44 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.422 ' HG3' ' HB2' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -79.4 151.02 31.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.895 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.577 ' HE3' HD11 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -48.35 -29.24 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -71.01 -44.2 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.422 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -66.32 -45.22 81.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.027 HD21 HD13 ' A' ' 24' ' ' LEU . 89.9 mt -61.15 -58.07 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.616 HD12 ' CD2' ' A' ' 20' ' ' LEU . 1.3 mp -51.5 -54.49 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' HG22 ' A' ' 39' ' ' ILE . 1.1 t70 -61.43 -30.53 70.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -69.44 -52.53 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.795 ' HA ' HD12 ' A' ' 45' ' ' LEU . 48.4 t -53.46 -55.33 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 5.7 mt -59.83 -36.07 76.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.29 -31.65 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' A' ' 42' ' ' VAL . 3.8 mt -75.38 -50.28 16.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.829 ' HB2' HG22 ' A' ' 5' ' ' VAL . 4.0 mt -72.72 -11.63 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.9 m -107.1 -73.02 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -14.43 59.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.4 24.89 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -52.4 -22.95 5.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.73 50.53 4.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -120.81 -5.44 9.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.337 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.94 -13.15 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.61 -172.1 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -146.19 166.8 25.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.75 47.95 0.65 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.486 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.24 -74.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.95 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.443 ' HA3' HG23 ' A' ' 64' ' ' THR . . . -82.02 7.98 61.68 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.36 18.94 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.875 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -144.78 18.83 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -179.13 -101.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.0 m -157.33 20.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.547 HD23 HD22 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -94.49 62.29 2.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.443 HG23 ' HA3' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -131.2 159.2 38.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -53.84 -34.7 60.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -63.95 -40.35 96.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.58 -53.55 40.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.499 ' HA ' HD12 ' A' ' 23' ' ' ILE . 84.8 t -56.78 -45.32 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.85 -28.23 65.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -63.86 -50.56 68.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.639 HG21 ' HB3' ' A' ' 22' ' ' ASP . 13.0 mm -67.85 -51.68 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.595 HG13 ' HB3' ' A' ' 11' ' ' LYS . 77.3 t -53.66 -40.06 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -66.87 -45.77 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.32 -39.94 80.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -45.2 75.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -64.92 -31.2 72.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.4 -46.23 49.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -37.84 85.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.4 ttp -77.05 -43.01 36.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -129.56 69.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 67.0 mt -50.5 -30.74 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -94.56 91.64 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.77 -74.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 62.18 76.03 0.4 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.635 0.731 . . . . 0.0 111.085 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -8.62 24.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 45.0 t0 56.57 42.94 26.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 63.43 36.68 11.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 56.2 25.0 8.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.98 105.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -93.95 21.94 6.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.3 t -64.44 -25.88 68.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -59.03 -75.24 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' -1' ' ' ALA . 0.4 OUTLIER -179.83 98.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -125.0 -40.56 0.41 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 70.33 10.07 7.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -112.24 -2.99 14.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.832 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -78.89 -13.37 59.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.5 m -166.64 43.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -72.41 78.65 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -146.57 90.46 5.56 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -171.62 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.367 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -117.55 35.09 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.138 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.09 25.97 15.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 52.05 43.08 30.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.88 179.79 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.925 0.393 . . . . 0.0 110.855 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -103.62 45.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 31.5 mtp -146.64 83.74 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -118.83 -8.84 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.04 -55.19 15.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.15 -21.43 66.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -77.4 -43.78 31.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.81 -41.7 74.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.05 -51.21 51.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -61.62 -38.25 86.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.9 t -72.71 -53.16 12.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.482 ' HA ' HG11 ' A' ' 72' ' ' VAL . 56.1 m -60.09 -38.25 82.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -53.54 24.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -52.07 -44.71 64.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.63 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -72.18 -60.34 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 39' ' ' ILE . 0.5 OUTLIER -48.78 -40.41 28.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.08 68.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -75.4 -7.57 54.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 75' ' ' THR . 9.6 m-85 -98.97 136.56 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -52.84 174.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.632 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.7 mt -50.57 -24.75 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.29 -49.37 23.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.538 ' OE2' HG22 ' A' ' 71' ' ' ILE . 2.2 mm-40 -56.8 -56.04 26.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.785 HD21 HG13 ' A' ' 39' ' ' ILE . 3.6 mt -56.13 -40.45 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -42.73 93.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -62.97 -41.97 99.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.477 HG21 HG22 ' A' ' 42' ' ' VAL . 39.6 mm -62.24 -57.44 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -60.15 -31.88 70.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -45.23 86.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -68.24 -35.85 78.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.031 HD21 HD12 ' A' ' 29' ' ' LEU . 3.1 tp -71.08 -33.32 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.16 42.26 7.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.536 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.031 HD12 HD21 ' A' ' 27' ' ' LEU . 15.7 mt -134.39 59.85 39.44 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.61 0.719 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.542 ' HA ' HD13 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.85 81.75 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.307 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -174.24 57.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.55 -179.62 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.43 -122.72 2.51 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.65 -173.51 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.36 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.571 ' HA ' HD12 ' A' ' 38' ' ' LEU . 5.0 mtpt -49.41 -30.85 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -71.68 -45.91 60.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -46.59 89.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.623 ' HB2' HD22 ' A' ' 20' ' ' LEU . 1.7 mt -63.75 -56.92 11.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.785 HG13 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -51.22 -49.29 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' N ' HG22 ' A' ' 39' ' ' ILE . 2.3 t70 -63.67 -31.8 73.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.48 -46.71 63.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.477 HG22 HG21 ' A' ' 23' ' ' ILE . 54.9 t -58.85 -57.52 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 19.7 mt -57.26 -42.55 81.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.58 -22.26 66.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -81.51 -43.66 18.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.842 HD11 HG11 ' A' ' 68' ' ' VAL . 5.3 mt -84.84 -5.59 59.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 78.9 m -112.65 -55.91 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.43 -7.52 58.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -134.36 20.8 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -14.05 45.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.9 41.48 0.28 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -47.71 82.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 178.93 66.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -158.41 76.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -58.1 167.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.69 48.07 0.7 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.464 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.37 -67.93 0.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.83 0.347 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.05 -11.14 44.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 65.46 8.07 4.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.83 8.03 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.488 HD22 ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -66.35 -10.43 42.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.488 ' N ' HD22 ' A' ' 61' ' ' ASN . 1.4 m 62.62 37.51 12.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.431 HD12 ' C ' ' A' ' 63' ' ' LEU . 4.4 pp -147.93 19.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.36 -177.95 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -48.9 -30.46 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -49.03 75.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -65.92 -52.1 52.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.842 HG11 HD11 ' A' ' 46' ' ' LEU . 99.7 t -56.09 -46.08 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.402 ' HB1' ' CD1' ' A' ' 87' ' ' LEU . . . -73.4 -23.97 60.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -67.4 -49.87 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.538 HG22 ' OE2' ' A' ' 19' ' ' GLU . 14.3 mm -74.14 -39.31 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.63 HG13 ' CB ' ' A' ' 11' ' ' LYS . 38.9 t -64.14 -40.35 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -72.76 -44.02 62.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -66.85 -44.82 80.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.569 HG22 ' CZ ' ' A' ' 15' ' ' PHE . 39.2 m -67.18 -39.08 86.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -73.17 -51.46 17.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -58.45 -37.81 76.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -24.97 37.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.7 ttp -63.78 -56.5 15.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -149.63 14.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 41.15 85.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -66.03 174.22 2.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 t -81.45 51.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 50.23 85.99 0.17 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -4.26 13.71 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 55.68 65.92 1.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.402 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 0.4 OUTLIER -48.1 -33.73 8.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 89' ' ' THR . . . -165.72 -77.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -179.42 -34.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.69 21.65 12.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.4 t -147.93 -74.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 52.22 29.6 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.7 t 63.12 40.58 8.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 149.05 83.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 p -135.02 8.03 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.9 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.2 23.84 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 26.2 t80 62.68 20.18 11.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m 56.55 88.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -76.1 69.54 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -50.76 137.71 24.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.719 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -171.65 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.06 34.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.51 -77.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -174.75 -159.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -4' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 1.4 p -164.59 -171.11 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -74.58 83.88 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 30.4 mtm -146.31 53.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 92' ' ' HIS . . . 50.65 25.72 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 5' ' ' VAL . 68.0 m -131.44 -32.94 1.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' -4' ' ' SER . . . -67.92 -26.09 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.94 -43.51 35.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.487 HD21 ' CB ' ' A' ' 65' ' ' LYS . 2.3 tp -69.4 -41.72 76.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 1' ' ' SER . 90.2 t -67.97 -51.58 47.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m -61.42 -37.84 84.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 64.1 m -73.11 -52.97 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.7 m -59.62 -39.75 85.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -53.77 24.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -50.98 -48.33 61.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -67.15 -57.9 5.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.837 HD11 HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -49.17 -41.19 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.4 -40.85 81.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -76.42 -12.74 60.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -98.55 134.41 41.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -54.17 176.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.752 ' HA ' HD12 ' A' ' 20' ' ' LEU . 2.0 mt -51.5 -24.75 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.62 -49.31 27.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' OE2' HG22 ' A' ' 71' ' ' ILE . 2.5 mm-40 -54.89 -56.96 13.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.837 HD23 HD11 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -59.58 -32.25 70.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.55 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.66 -47.62 84.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -40.34 95.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.613 HG21 HG22 ' A' ' 42' ' ' VAL . 38.9 mm -66.06 -57.23 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.727 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -60.5 -26.45 66.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.618 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -72.17 -43.8 64.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -76.54 -24.84 53.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 24' ' ' LEU . 20.6 mt -67.74 -12.13 59.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.61 16.4 15.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 mt 64.33 84.12 0.19 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.596 0.713 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -161.05 0.07 OUTLIER 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.353 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 0.78 6.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 70.36 -161.63 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' HA3' ' HB3' ' A' ' 37' ' ' ASP . . . 140.43 150.64 5.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 177.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -49.42 -40.93 38.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -55.16 25.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.428 ' HB3' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -51.75 -48.95 63.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.668 ' HB3' HD22 ' A' ' 20' ' ' LEU . 27.9 mt -55.58 -52.28 64.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.654 ' HA ' HD21 ' A' ' 12' ' ' LEU . 1.3 mt -51.25 -54.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -61.43 -26.61 67.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -50.15 60.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.613 HG22 HG21 ' A' ' 23' ' ' ILE . 25.0 t -60.3 -54.35 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 11.1 mt -57.36 -39.43 75.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.37 -24.88 63.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.49 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.82 -44.91 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.999 HD21 HG21 ' A' ' 68' ' ' VAL . 8.5 mt -80.1 -11.75 59.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.5 m -106.59 -65.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.65 -11.68 60.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 3.4 mt-10 -131.36 24.09 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -21.77 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.08 44.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.89 35.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.307 . . . . 0.0 110.907 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -146.98 14.85 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 53.88 90.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -54.05 172.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.18 42.68 0.46 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.67 -72.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.772 0.32 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.06 -40.28 3.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.67 12.98 11.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -161.94 37.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.98 4.34 26.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.417 ' C ' HD23 ' A' ' 63' ' ' LEU . 1.4 m -75.41 54.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.685 ' CB ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER 179.38 31.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.45 -178.97 5.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -50.89 -36.11 36.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.07 -45.09 93.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.87 -53.58 48.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.999 HG21 HD21 ' A' ' 46' ' ' LEU . 84.4 t -54.34 -43.32 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.62 -31.7 69.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -64.05 -50.39 68.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.448 HG22 ' OE2' ' A' ' 19' ' ' GLU . 20.4 mm -66.97 -52.53 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.474 HG13 ' HB3' ' A' ' 11' ' ' LYS . 45.2 t -52.18 -41.14 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -66.7 -42.37 86.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.12 -48.48 78.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -51.07 71.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -46.07 85.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.415 ' HA ' ' HB ' ' A' ' 81' ' ' ILE . 33.9 mtm180 -51.88 -46.61 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -79.68 -25.01 41.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 ttp -56.16 -57.8 10.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.86 31.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.673 HG21 ' N ' ' A' ' 85' ' ' PRO . 35.6 mm -107.85 -76.73 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER 77.14 -46.96 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.8 t -90.02 32.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.433 ' C ' HG21 ' A' ' 81' ' ' ILE . . . 65.38 123.15 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.555 0.693 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.673 ' N ' HG21 ' A' ' 81' ' ' ILE . 53.7 Cg_endo -69.78 -1.32 8.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.344 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 66.95 65.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.4 tp -43.18 -73.41 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -175.87 31.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 59.96 102.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -74.04 72.79 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.8 p 179.48 34.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.659 ' O ' ' HB2' ' A' ' -1' ' ' ALA . 2.5 t60 -83.54 59.81 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t 63.43 94.4 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.2 79.16 0.23 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.28 16.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.06 -5.27 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.01 9.65 36.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -171.74 64.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.54 74.35 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.03 160.64 0.8 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -172.62 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.386 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.23 34.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.29 -32.03 23.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 61.47 47.88 6.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.72 29.37 5.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.947 0.403 . . . . 0.0 110.873 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 54.9 m170 56.58 44.85 23.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 5.8 ttp 65.66 44.1 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 63.93 34.23 11.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.508 ' O ' HG23 ' A' ' 5' ' ' VAL . 1.0 OUTLIER 76.49 -2.51 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.753 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.06 -31.74 66.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.55 -39.85 44.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 65' ' ' LYS . 1.9 tt -69.64 -41.17 75.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 1' ' ' SER . 74.1 t -71.78 -52.04 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -58.28 -40.95 83.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.2 m -70.26 -50.69 37.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.0 m -58.65 -44.47 90.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -54.05 45.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.18 -44.37 61.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.515 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -69.76 -59.25 3.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.629 HD23 ' CG1' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -49.47 -41.22 39.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.39 79.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -76.53 -11.61 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.524 ' CE1' HG22 ' A' ' 75' ' ' THR . 13.1 m-85 -94.64 133.37 38.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -52.51 173.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -50.3 -25.96 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -49.55 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.32 -54.33 46.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.805 HD23 ' HB2' ' A' ' 38' ' ' LEU . 9.7 mp -54.51 -39.69 67.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -46.24 89.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -43.68 86.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.788 HG21 HG22 ' A' ' 42' ' ' VAL . 47.1 mm -62.25 -57.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -59.56 -31.6 69.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -46.27 83.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -67.18 -35.44 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.955 HD21 HD12 ' A' ' 29' ' ' LEU . 1.6 tp -68.06 -33.45 74.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.03 43.01 7.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.955 HD12 HD21 ' A' ' 27' ' ' LEU . 15.3 mt -136.81 59.74 25.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.584 0.707 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 75.89 1.18 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.89 57.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -113.98 -179.11 3.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.06 -121.78 1.48 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.89 -173.13 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.728 ' HG2' HD22 ' A' ' 20' ' ' LEU . 8.1 mtpt -49.7 -29.31 7.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -71.99 -47.98 48.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -49.62 77.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.805 ' HB2' HD23 ' A' ' 20' ' ' LEU . 1.4 mt -60.8 -56.47 20.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.629 ' CG1' HD23 ' A' ' 12' ' ' LEU . 3.1 mt -51.52 -50.21 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -58.64 -32.0 68.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -47.29 67.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.788 HG22 HG21 ' A' ' 23' ' ' ILE . 51.8 t -58.35 -57.54 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 13.2 mt -57.15 -43.08 82.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.39 -21.46 66.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.478 HD11 ' O ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -81.26 -42.25 20.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.815 HD11 HG21 ' A' ' 68' ' ' VAL . 4.3 mt -87.77 -4.91 58.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.7 m -112.55 -49.43 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.89 -5.58 44.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 1.9 mt-10 -135.91 14.13 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.27 -44.51 8.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.09 1.69 41.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 53.56 23.18 3.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.788 0.327 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 60.9 18.45 8.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -76.0 -72.83 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -175.83 165.43 3.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.81 46.57 0.71 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.434 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.01 -68.47 0.92 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.45 -13.57 59.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER 65.23 9.01 5.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.77 -12.24 4.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.497 ' OD1' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -53.2 -26.35 17.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 m 47.16 34.15 2.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.478 ' O ' HD11 ' A' ' 45' ' ' LEU . 1.2 pp -146.11 23.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.497 HG23 ' OD1' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -111.35 -179.65 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.466 ' HB2' HD21 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -50.79 -30.45 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -65.32 -47.55 76.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.85 -52.71 55.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.815 HG21 HD11 ' A' ' 46' ' ' LEU . 97.8 t -55.35 -45.17 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.414 ' HB1' ' HG ' ' A' ' 87' ' ' LEU . . . -71.19 -28.63 64.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -64.36 -49.52 71.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.8 mm -71.13 -40.09 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.515 HG13 ' CB ' ' A' ' 11' ' ' LYS . 37.7 t -59.25 -41.67 84.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -71.31 -49.37 43.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.66 -40.72 93.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.524 HG22 ' CE1' ' A' ' 15' ' ' PHE . 62.6 m -67.49 -42.21 83.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.21 -52.4 48.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -59.16 -36.88 76.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -22.71 41.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 ttp -67.82 -58.39 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -142.55 1.32 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 26.9 mt 64.89 118.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.8 -162.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 58.1 m -87.93 38.21 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 48.57 78.72 0.38 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.645 0.736 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -6.29 18.26 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 50.95 34.51 10.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.414 ' HG ' ' HB1' ' A' ' 69' ' ' ALA . 0.5 OUTLIER 62.07 62.0 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 52.18 29.24 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.73 104.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.5 mmm-85 -95.99 22.3 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.4 p -94.07 42.32 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -125.44 29.73 5.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 p -168.69 140.97 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.5 -57.05 4.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 69.23 11.42 8.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.84 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -120.58 -2.26 9.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.79 9.22 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -168.47 47.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -74.17 74.51 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.3 157.04 1.27 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -172.36 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.72 2.28 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.29 31.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 51.19 39.11 22.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.45 84.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.22 46.4 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.839 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 30.5 m80 62.3 47.49 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 7.5 mtp -145.86 82.79 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -122.04 -6.04 8.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.4 m -49.91 -55.97 12.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.02 -21.43 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -79.04 -41.96 27.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tt -70.02 -39.42 75.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.618 HG22 ' HB2' ' A' ' 46' ' ' LEU . 98.7 t -71.9 -52.22 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -59.18 -41.77 89.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.1 t -68.84 -46.92 67.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' SG ' HG12 ' A' ' 68' ' ' VAL . 8.7 m -61.44 -39.96 92.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -54.98 21.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -51.42 -50.75 59.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.658 ' CD ' HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -65.17 -57.62 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.55 HD11 ' HG ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -49.31 -41.34 38.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.62 -35.54 77.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -81.25 -11.22 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -102.73 139.29 38.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -50.75 170.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mt -52.66 -22.6 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -49.59 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.33 -53.62 55.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.72 HD21 HG13 ' A' ' 39' ' ' ILE . 6.3 mp -58.44 -31.31 67.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.564 ' HA ' HD22 ' A' ' 24' ' ' LEU . 1.7 tttm -68.42 -45.62 72.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -62.59 -39.47 93.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.572 HG21 HG22 ' A' ' 42' ' ' VAL . 46.3 mm -67.57 -57.75 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -59.54 -26.32 65.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.64 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -74.83 -45.97 39.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -68.79 -28.62 66.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 24' ' ' LEU . 17.8 mt -66.54 -28.13 68.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.46 27.8 26.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.465 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.445 HD22 ' CZ ' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -131.21 56.93 27.75 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.607 0.718 . . . . 0.0 110.879 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 29' ' ' LEU . 53.2 Cg_endo -69.83 78.63 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.32 57.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.24 -172.03 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.24 -119.6 4.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.62 -172.61 2.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.64 ' HD2' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.03 -28.18 6.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -70.45 -48.11 57.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -48.19 82.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.61 HD21 HD13 ' A' ' 24' ' ' LEU . 71.9 mt -58.93 -56.21 25.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.72 HG13 HD21 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -52.12 -53.69 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' N ' HG22 ' A' ' 39' ' ' ILE . 9.6 t0 -57.34 -30.07 64.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.445 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -68.53 -49.42 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.572 HG22 HG21 ' A' ' 23' ' ' ILE . 44.8 t -57.41 -55.59 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 6.7 mt -59.52 -38.24 80.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.73 -25.73 67.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.482 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -79.74 -44.55 20.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.768 HD21 HG21 ' A' ' 68' ' ' VAL . 6.7 mt -81.6 -6.83 59.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.5 m -112.74 -63.02 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -10.54 59.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 2.3 mt-10 -127.77 22.73 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -73.03 -2.94 23.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.95 -7.82 56.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.543 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.54 59.38 1.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.849 0.356 . . . . 0.0 110.93 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -118.19 -12.8 9.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 -71.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.454 ' HA ' ' CE2' ' A' ' 57' ' ' TRP . 33.7 p80 -174.96 162.67 3.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.47 44.3 1.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.454 ' CE2' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -114.36 -74.14 0.63 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 130.13 -2.56 5.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.443 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER 66.2 10.15 6.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.19 36.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.521 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 1.1 p30 -71.34 -8.63 55.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.483 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 0.9 OUTLIER 49.67 42.61 23.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.804 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.433 ' CB ' HD23 ' A' ' 27' ' ' LEU . 2.1 pp -161.1 30.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 p -139.84 179.76 6.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.691 ' HG2' HD22 ' A' ' 46' ' ' LEU . 36.4 mtmt -51.92 -34.7 42.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -46.31 89.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -63.53 -51.05 67.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.768 HG21 HD21 ' A' ' 46' ' ' LEU . 36.2 t -55.71 -47.25 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.784 ' HB1' HD13 ' A' ' 87' ' ' LEU . . . -69.44 -28.65 66.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -49.67 74.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.3 mm -72.32 -34.47 49.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.658 HG13 ' CD ' ' A' ' 11' ' ' LYS . 17.6 t -59.12 -47.1 91.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.403 ' HB2' HD22 ' A' ' 87' ' ' LEU . 2.2 t0 -74.06 -39.45 63.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -51.8 65.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.3 m -66.85 -38.41 86.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -66.91 -53.69 29.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -59.33 -34.35 72.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.53 -24.17 36.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -56.72 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -147.28 13.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 42.24 88.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -63.31 -76.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.54 33.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 51.63 75.15 0.68 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.543 0.687 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -5.93 17.38 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.0 t70 65.77 78.84 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.784 HD13 ' HB1' ' A' ' 69' ' ' ALA . 1.4 pp -57.57 -19.35 24.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 67.02 70.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.3 m -49.13 -69.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -159.95 24.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -104.4 58.8 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -134.48 25.71 3.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.0 p -154.14 -168.36 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -93.05 -116.58 2.48 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p -179.29 29.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.883 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -127.58 -3.84 6.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.01 9.18 38.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.7 t -176.03 60.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -76.98 63.32 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -49.14 108.03 0.89 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.606 0.717 . . . . 0.0 110.86 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 100' ' ' ARG . 53.9 Cg_endo -69.78 95.01 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -141.99 34.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -51.07 -31.09 17.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -69.09 84.72 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.56 -66.1 0.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 0.0 110.878 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -148.09 44.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 18.9 mmt -150.98 87.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -114.76 -6.95 12.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -54.37 30.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.73 -20.97 66.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -77.36 -45.0 27.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.537 HD12 HG22 ' A' ' 89' ' ' THR . 0.8 OUTLIER -69.82 -41.27 75.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.0 t -67.78 -51.55 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 t -61.69 -38.25 87.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.0 m -72.33 -52.44 16.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.2 m -60.12 -40.58 90.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -54.27 26.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -51.08 -46.03 61.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HB3' HG13 ' A' ' 72' ' ' VAL . 1.8 mmtp -69.31 -52.02 31.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.684 HD11 HG21 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -53.08 -41.74 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.92 -43.37 75.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -72.79 -14.8 61.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -97.47 132.16 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -50.96 170.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mt -50.27 -25.34 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.83 -49.46 29.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -58.3 -52.89 63.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.716 HD21 HG13 ' A' ' 39' ' ' ILE . 6.6 mp -60.25 -32.92 71.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.53 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -65.01 -47.73 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.85 -41.21 97.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.46 HD13 HG13 ' A' ' 68' ' ' VAL . 82.1 mt -65.72 -58.06 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -59.47 -26.37 65.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.63 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -73.27 -44.37 59.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -75.38 -22.52 57.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 24' ' ' LEU . 26.3 mt -66.39 -33.08 74.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.81 21.19 12.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.472 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.417 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -141.48 56.07 5.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.655 0.741 . . . . 0.0 110.926 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.77 75.07 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.68 2.254 . . . . 0.0 112.356 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.03 59.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -177.39 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.36 -123.91 1.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.56 -173.53 2.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.608 ' HG3' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -48.35 -31.4 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.4 -52.15 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.99 -47.74 82.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.511 ' CB ' HD23 ' A' ' 20' ' ' LEU . 6.8 mt -58.52 -54.61 45.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.716 HG13 HD21 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -51.55 -49.58 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.83 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' N ' HG22 ' A' ' 39' ' ' ILE . 1.4 t0 -59.37 -32.95 70.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -47.31 69.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.684 HG21 HD11 ' A' ' 12' ' ' LEU . 60.2 t -58.25 -57.03 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 8.1 mt -57.03 -39.38 74.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.64 -25.16 65.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.507 HD22 HD21 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -79.09 -44.34 22.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.988 HD21 HG21 ' A' ' 68' ' ' VAL . 8.2 mt -80.88 -10.21 59.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.5 m -108.25 -63.64 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.17 -10.45 59.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 2.9 mt-10 -132.57 23.3 4.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -23.5 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.61 38.8 15.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -32.11 22.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.742 0.306 . . . . 0.0 110.867 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -131.73 47.07 2.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -179.61 137.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -51.54 103.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.516 ' O ' HG21 ' A' ' 64' ' ' THR . . . -138.87 55.25 0.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.72 -60.81 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.591 ' HA3' HD21 ' A' ' 61' ' ' ASN . . . 52.4 25.61 20.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.27 68.0 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.89 67.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.591 HD21 ' HA3' ' A' ' 58' ' ' GLY . 1.0 OUTLIER -87.54 14.63 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.487 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 0.7 OUTLIER 50.26 41.22 23.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.57 ' HA ' HD23 ' A' ' 27' ' ' LEU . 3.2 pp -159.02 24.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.516 HG21 ' O ' ' A' ' 56' ' ' GLY . 0.8 OUTLIER -131.67 -179.44 5.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.613 ' HA ' HD22 ' A' ' 46' ' ' LEU . 1.8 mtmt -50.86 -37.12 41.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -42.62 99.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.487 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -64.79 -53.47 46.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.988 HG21 HD21 ' A' ' 46' ' ' LEU . 58.9 t -54.56 -45.3 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.543 ' CB ' HG21 ' A' ' 89' ' ' THR . . . -69.4 -30.96 69.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -62.1 -50.31 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.2 mm -67.12 -51.92 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.449 HG13 ' HB3' ' A' ' 11' ' ' LYS . 54.8 t -52.74 -39.33 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.473 ' OD2' HD11 ' A' ' 87' ' ' LEU . 7.4 m-20 -67.7 -44.43 77.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -51.73 68.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -42.45 94.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -67.12 -45.61 76.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -45.5 77.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -79.33 -23.46 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.8 ttp -66.61 -59.77 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.41 ' O ' ' HB ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -139.16 -7.18 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' A' ' 80' ' ' GLN . 24.8 mt 73.84 -57.28 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 63.82 -101.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 173.58 33.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 54.87 96.3 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -4.09 13.34 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 t0 64.49 80.19 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.845 ' H ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -73.73 -2.77 24.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.428 ' N ' HD22 ' A' ' 87' ' ' LEU . . . 49.59 69.39 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.747 HG23 HD23 ' A' ' 87' ' ' LEU . 14.5 p -107.62 -105.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 48.38 25.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.23 91.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.92 149.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 157.12 110.23 0.3 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.2 t -133.91 -160.2 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.36 -10.46 24.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.33 12.62 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m 63.56 106.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 13.6 t80 62.36 58.89 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -146.65 90.59 5.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -171.75 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.21 32.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 51.47 39.06 23.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.72 85.47 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.113 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 26.5 m -104.2 57.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.823 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 78.9 m80 58.82 44.11 17.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' MET . . . . . 0.402 ' HB2' ' HB2' ' A' ' 3' ' ' ASP . 13.0 ttm 66.45 44.21 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -1' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' -2' ' ' MET . . . 66.36 31.64 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.5 OUTLIER 75.27 -3.21 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.779 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.47 -32.54 66.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.402 ' HB2' ' HB2' ' A' ' -2' ' ' MET . 26.8 t70 -78.0 -40.22 39.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.701 HD11 ' HB2' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -69.23 -41.84 76.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 1' ' ' SER . 76.1 t -70.83 -51.85 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 m -58.77 -40.43 83.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.1 m -71.22 -48.98 48.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.6 m -60.0 -44.41 94.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -54.34 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -50.51 -49.76 54.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -65.89 -53.43 39.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.549 HD11 HG21 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -50.98 -43.2 60.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.36 82.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -73.18 -19.3 61.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -97.71 132.45 43.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -51.87 171.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt -51.34 -24.85 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -47.82 -49.74 28.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.83 -53.07 61.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.672 HD21 HG13 ' A' ' 39' ' ' ILE . 6.6 mp -58.5 -31.58 68.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.522 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.59 -47.72 68.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.824 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -41.67 97.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.6 -58.42 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.779 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -60.23 -26.98 66.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.619 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -69.77 -46.53 65.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -68.9 -30.66 69.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.872 HD21 HD22 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -67.71 -26.67 66.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.83 30.75 4.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.872 HD22 HD21 ' A' ' 27' ' ' LEU . 2.8 mp -102.86 159.41 29.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.714 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.439 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 54.3 Cg_endo -69.71 165.02 32.32 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.69 -30.86 71.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -171.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.48 94.26 2.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -57.72 173.12 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.331 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.636 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -51.13 -37.64 47.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.836 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -71.67 -47.24 55.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -48.97 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.772 ' CD2' HD13 ' A' ' 24' ' ' LEU . 4.7 mt -62.75 -57.06 12.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.672 HG13 HD21 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -51.52 -50.26 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.837 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -60.56 -32.74 71.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.405 ' HD2' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -68.26 -47.27 68.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.549 HG21 HD11 ' A' ' 12' ' ' LEU . 51.4 t -59.32 -57.56 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 10.8 mt -57.51 -37.33 72.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.49 -27.54 67.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.053 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.485 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -78.04 -44.96 24.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.753 HD21 HG21 ' A' ' 68' ' ' VAL . 10.7 mt -78.49 -11.87 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.5 m -106.99 -67.23 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.27 -12.12 61.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -131.56 24.23 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -21.82 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.55 55.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -34.2 23.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.749 0.309 . . . . 0.0 110.932 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 60.16 79.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -142.89 -70.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.86 69.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -123.2 64.43 0.53 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.414 ' O ' ' HB3' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -118.74 -64.66 1.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.829 0.347 . . . . 0.0 110.859 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.94 23.41 3.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 47.58 26.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -161.54 18.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.414 ' HB3' ' O ' ' A' ' 57' ' ' TRP . 23.9 p-10 -76.23 54.05 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 55.9 p -76.42 54.75 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' H ' HD12 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -138.5 13.24 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -178.2 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.701 ' HB2' HD11 ' A' ' 4' ' ' LEU . 1.4 pttm -49.5 -31.02 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.37 -45.01 73.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.39 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.753 HG21 HD21 ' A' ' 46' ' ' LEU . 54.7 t -56.7 -43.61 79.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.3 -25.84 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -48.7 70.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.3 mm -75.38 -40.68 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.465 HG13 ' HB3' ' A' ' 11' ' ' LYS . 6.4 t -62.82 -41.93 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.647 ' OD2' HD22 ' A' ' 87' ' ' LEU . 82.4 m-20 -72.59 -49.27 33.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -60.78 -39.7 89.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.513 HG22 ' SD ' ' A' ' 79' ' ' MET . 87.4 m -69.7 -42.72 73.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -67.94 -52.52 35.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' A' ' 81' ' ' ILE . 63.1 mtm180 -58.77 -45.96 88.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -32.93 73.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.513 ' SD ' HG22 ' A' ' 75' ' ' THR . 3.1 mtp -58.91 -56.55 20.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -177.9 25.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 91.2 mt 62.52 -77.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' CYS . 4.5 tt0 62.62 -150.73 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -33.81 -61.59 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 50.39 73.43 0.99 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.711 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -2.65 10.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.314 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 87' ' ' LEU . 9.5 t70 67.59 95.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.647 HD22 ' OD2' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -36.41 -70.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 87' ' ' LEU . . . 178.14 35.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.5 m 54.91 28.02 9.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.25 22.84 12.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.1 m -85.02 -48.18 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -81.83 -23.66 36.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.8 m -148.01 113.02 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -91.79 -118.54 2.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.85 29.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -124.54 -4.99 7.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.31 9.34 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 p -179.26 65.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -110.44 38.95 2.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.03 156.99 1.19 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -171.84 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.724 2.282 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.34 34.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.169 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -51.21 -76.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 179.98 -158.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 12.2 p -130.13 -42.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -132.87 47.22 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 30.8 mtm -145.79 83.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -113.34 -12.52 13.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.6 m -49.61 -54.96 15.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.33 -21.23 66.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.71 -43.54 30.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.68 HD11 ' HB3' ' A' ' 65' ' ' LYS . 9.5 tt -69.76 -41.57 75.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.8 t -68.37 -51.44 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -61.55 -38.55 87.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.6 t -72.07 -50.39 28.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.4 m -61.32 -40.05 92.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HB2' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -66.8 -54.74 19.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.88 -48.65 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.629 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -66.58 -58.49 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.569 HD21 HG13 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -49.34 -42.65 42.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.23 -38.58 85.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -74.77 -18.38 60.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -91.33 143.48 26.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -66.43 177.36 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.481 HG23 ' HE2' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -48.66 -26.59 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.57 -49.45 46.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' OE1' HG22 ' A' ' 71' ' ' ILE . 17.6 tp10 -60.83 -58.07 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.684 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.2 mp -56.27 -30.85 62.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -49.72 66.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -60.42 -41.26 93.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.528 HD12 ' CD1' ' A' ' 12' ' ' LEU . 62.3 mt -64.4 -57.73 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.446 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -58.67 -32.75 69.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -44.54 86.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -68.36 -32.27 72.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.592 HD23 ' HG3' ' A' ' 30' ' ' PRO . 9.6 tp -71.0 -18.37 62.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.35 29.24 4.87 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER 49.62 82.82 0.23 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 110.877 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.592 ' HG3' HD23 ' A' ' 27' ' ' LEU . 53.7 Cg_endo -69.76 27.5 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.65 2.234 . . . . 0.0 112.385 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 41.31 32.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -61.04 -174.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.55 -113.15 3.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.55 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.98 -172.73 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.684 ' HE3' HD22 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -50.91 -26.98 6.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -50.63 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.54 -47.15 73.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.684 HD12 ' NZ ' ' A' ' 35' ' ' LYS . 72.4 mt -56.62 -56.52 20.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.683 HG13 HD21 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -52.62 -54.22 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.784 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' HG22 ' A' ' 39' ' ' ILE . 5.4 t70 -57.07 -31.97 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -46.09 59.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.5 t -57.25 -57.52 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 6.7 mt -58.22 -40.91 82.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.94 64.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -80.61 -44.86 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.953 HD11 HG11 ' A' ' 68' ' ' VAL . 7.2 mt -81.68 -8.46 59.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 m -110.5 -61.99 1.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -9.32 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -132.87 22.72 4.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -19.62 17.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 134.62 -24.66 3.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 51.83 24.14 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.333 . . . . 0.0 110.897 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 62.53 40.32 10.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -133.68 -69.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -141.98 -171.73 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.708 ' O ' HG21 ' A' ' 64' ' ' THR . . . 126.71 35.24 0.56 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.28 -63.14 1.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.798 0.332 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.583 ' HA3' HD21 ' A' ' 61' ' ' ASN . . . 51.78 27.66 20.86 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.541 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 44.37 65.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.922 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.42 68.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.583 HD21 ' HA3' ' A' ' 58' ' ' GLY . 1.1 p30 -85.32 10.09 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.499 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 0.1 OUTLIER 48.97 42.79 21.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.863 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.401 HD12 ' C ' ' A' ' 63' ' ' LEU . 3.7 pp -156.11 22.32 0.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.708 HG21 ' O ' ' A' ' 56' ' ' GLY . 0.6 OUTLIER -128.88 -178.51 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.68 ' HB3' HD11 ' A' ' 4' ' ' LEU . 18.9 mtmt -49.07 -30.94 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.71 -51.01 71.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.499 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -65.83 -51.7 56.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.953 HG11 HD11 ' A' ' 46' ' ' LEU . 48.5 t -56.3 -46.27 81.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.09 -26.03 61.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -65.16 -49.92 67.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.453 HG22 ' OE1' ' A' ' 19' ' ' GLU . 16.0 mm -72.66 -40.76 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.629 HG13 ' CB ' ' A' ' 11' ' ' LYS . 42.7 t -64.08 -38.37 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -71.24 -48.54 50.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.0 -43.37 92.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.6 m -62.03 -48.98 77.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.485 ' CD2' HD12 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -68.69 -47.91 65.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.71 -43.27 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -79.43 -25.25 42.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.9 tpp -60.19 -55.6 31.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.77 30.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.485 HD12 ' CD2' ' A' ' 76' ' ' TYR . 4.7 mt -144.64 56.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -57.95 -19.24 28.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.3 t -50.43 -27.5 6.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.425 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . . . 64.44 91.87 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.088 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 84' ' ' ALA . 53.6 Cg_endo -69.81 -8.16 22.9 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 46.2 t0 56.7 32.75 21.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.4 tp 52.16 57.26 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 51.23 44.76 28.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.5 m 64.72 31.63 11.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.49 23.43 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.7 t 58.56 79.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 74.6 m80 51.9 67.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.89 129.14 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.39 -78.63 0.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.6 p -179.39 28.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.867 0.365 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -127.53 -3.35 6.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.46 9.22 37.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 p -178.81 61.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -73.89 75.75 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.67 90.53 5.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -171.79 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.673 2.249 . . . . 0.0 112.38 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.24 34.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -51.35 -30.81 19.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.06 82.49 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 47.0 m -114.71 30.61 7.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 33.4 m80 61.28 47.61 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 14.3 mtm -145.1 83.7 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -109.56 -16.92 13.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 93.5 p -50.54 -52.67 36.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.27 -21.85 66.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.88 -43.11 31.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' A' ' 65' ' ' LYS . 3.8 tt -69.87 -41.3 74.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.01 -51.5 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -60.87 -39.28 88.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.5 m -71.59 -52.56 17.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 m -59.85 -39.39 85.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -54.07 29.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -51.75 -47.49 64.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.626 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -69.25 -60.38 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.026 HD21 HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -47.44 -43.21 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.38 77.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -72.29 -16.89 61.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -96.0 136.32 36.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -55.36 178.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mt -52.34 -24.86 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -48.28 37.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -58.25 -55.47 34.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 1.026 HD11 HD21 ' A' ' 12' ' ' LEU . 4.2 mm? -56.36 -51.89 66.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.561 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -55.04 -48.11 73.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.66 -49.68 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.3 mt -67.91 -59.48 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.649 HD23 ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -50.14 -27.79 6.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.649 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -76.61 -46.16 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -63.62 -37.21 86.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD13 ' CB ' ' A' ' 63' ' ' LEU . 5.3 mt -67.6 -32.83 73.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.16 38.62 9.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.4 63.76 69.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -169.34 0.32 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? 68.74 59.03 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.81 -169.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.2 -127.61 5.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.77 -172.53 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.866 0.365 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.49 -30.53 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -71.74 -45.48 61.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -48.1 83.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 20' ' ' LEU . 70.6 mt -62.92 -55.37 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.47 HG12 HD23 ' A' ' 12' ' ' LEU . 5.9 mt -51.66 -55.42 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -56.69 -33.89 66.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.566 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.62 -55.38 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.867 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.465 HG11 HD13 ' A' ' 12' ' ' LEU . 4.9 t -53.98 -50.75 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 15.8 mt -55.07 -37.85 67.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.18 87.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.938 HD23 HD13 ' A' ' 63' ' ' LEU . 10.8 mp -56.47 -52.31 65.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.706 HD21 HG21 ' A' ' 68' ' ' VAL . 1.9 mt -73.62 -25.25 60.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.9 m -80.4 -69.55 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -20.06 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 4.2 mt-10 -62.99 -12.19 24.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.49 -5.32 32.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.32 -26.52 9.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.12 -31.96 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 69.02 38.08 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -157.83 37.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -55.89 179.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.05 39.74 0.51 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.448 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.617 ' HZ3' HD22 ' A' ' 61' ' ' ASN . 0.0 OUTLIER -115.68 -68.93 0.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.899 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.29 4.97 58.24 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -116.11 4.0 13.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.418 ' HE3' ' ND2' ' A' ' 61' ' ' ASN . 1.2 pttp -111.92 -7.81 14.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.617 HD22 ' HZ3' ' A' ' 57' ' ' TRP . 0.7 OUTLIER -155.19 15.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.47 36.02 2.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.938 HD13 HD23 ' A' ' 45' ' ' LEU . 3.5 pp -167.27 133.62 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.93 173.26 17.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.686 ' HB2' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -54.92 -34.12 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.5 -45.06 92.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.14 -54.02 36.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.706 HG21 HD21 ' A' ' 46' ' ' LEU . 58.4 t -57.56 -44.97 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.89 -24.85 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -66.67 -48.84 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.6 mm -72.73 -39.23 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.626 HG13 ' CB ' ' A' ' 11' ' ' LYS . 15.6 t -63.04 -41.09 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -72.19 -49.15 37.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.16 -39.36 92.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.3 m -67.43 -46.45 73.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -63.89 -51.23 65.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 81' ' ' ILE . 17.3 ptp180 -61.62 -34.75 76.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -78.29 -24.46 46.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.759 ' HB3' HE21 ' A' ' 80' ' ' GLN . 3.8 tpp -72.93 -57.38 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.759 HE21 ' HB3' ' A' ' 79' ' ' MET . 0.0 OUTLIER -148.02 20.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 52.9 mt 67.18 -75.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 59.92 171.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.4 m -79.13 60.94 3.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -46.96 106.65 0.61 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -7.61 21.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.3 t0 65.2 48.84 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.618 HD23 ' CG ' ' A' ' 90' ' ' ARG . 17.9 tp 63.77 40.47 7.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 51.41 48.67 22.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.9 107.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.618 ' CG ' HD23 ' A' ' 87' ' ' LEU . 3.3 mtm-85 -92.79 21.14 5.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.69 25.71 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -32.37 70.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.66 146.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -103.32 -118.4 4.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 69.23 11.21 8.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.838 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -118.99 -2.79 10.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.12 11.11 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.2 p -174.81 43.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -158.89 51.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -146.53 90.44 5.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.575 0.702 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -172.0 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.323 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -141.75 34.37 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -51.22 -31.38 20.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.88 35.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.42 -57.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -143.54 95.93 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 7.4 mtm -134.02 -78.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 66.51 13.06 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.7 m -55.26 -57.56 11.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.12 -22.44 65.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.072 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -78.37 -41.93 31.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.467 HD23 HD13 ' A' ' 46' ' ' LEU . 10.4 tt -69.72 -40.35 76.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.732 HG22 ' HB2' ' A' ' 46' ' ' LEU . 95.0 t -70.38 -52.06 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 m -59.82 -41.2 90.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.5 t -69.4 -52.16 29.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.573 ' HA ' HG11 ' A' ' 72' ' ' VAL . 19.9 m -57.25 -41.64 80.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.85 -53.66 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -50.53 -52.35 39.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.591 ' HD3' HG13 ' A' ' 72' ' ' VAL . 1.5 tmpt? -65.87 -48.97 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.477 HD12 HD12 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -52.52 -44.35 65.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.58 -30.69 64.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -76.8 -18.48 58.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.665 ' CZ ' HG22 ' A' ' 75' ' ' THR . 7.4 m-85 -104.28 143.05 33.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -56.36 -179.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mt -57.91 -22.59 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.13 -51.39 18.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.506 ' OE2' HG21 ' A' ' 75' ' ' THR . 4.7 mp0 -61.73 -50.95 70.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.717 HD21 HG13 ' A' ' 39' ' ' ILE . 6.6 mp -59.05 -31.46 68.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.513 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.07 -51.32 55.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -59.21 -42.09 90.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.477 HD12 HD12 ' A' ' 12' ' ' LEU . 97.4 mt -63.79 -58.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.787 HD13 ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -61.19 -27.02 68.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.621 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -67.65 -46.95 70.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -69.99 -34.62 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.566 HD23 ' CA ' ' A' ' 63' ' ' LEU . 4.6 mt -67.35 -26.91 66.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.77 0.08 42.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.66 HD21 ' CD ' ' A' ' 41' ' ' ARG . 3.4 mp -51.6 162.76 0.68 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 164.39 34.73 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -65.74 -30.08 70.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.46 -172.71 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.91 94.68 2.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.517 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 177.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.654 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -51.85 -37.44 52.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -71.71 -48.18 48.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -48.86 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.787 ' CD2' HD13 ' A' ' 24' ' ' LEU . 1.7 mt -63.18 -56.8 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.717 HG13 HD21 ' A' ' 20' ' ' LEU . 1.2 mt -51.42 -50.58 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.47 -31.87 71.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.66 ' CD ' HD21 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -66.83 -49.45 65.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.3 -56.65 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 7.7 mt -58.88 -35.13 72.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.61 -29.15 69.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.503 HD21 HG21 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -77.9 -44.45 27.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.732 ' HB2' HG22 ' A' ' 5' ' ' VAL . 9.4 mt -78.89 -11.9 60.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.0 m -107.5 -66.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -12.36 61.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -130.53 23.66 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -55.0 -21.18 11.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.919 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.07 31.2 6.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -83.59 2.59 36.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -74.17 -10.87 60.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -53.89 -66.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -165.85 165.09 18.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.18 47.72 0.75 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.544 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.77 -64.42 1.31 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.809 0.337 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 58.48 18.73 38.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? 44.15 58.86 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.48 -30.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.401 HD22 ' N ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -45.36 -36.85 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.509 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 2.3 m 42.54 44.72 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.566 ' CA ' HD23 ' A' ' 27' ' ' LEU . 1.7 pp -137.89 25.35 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.57 -177.17 4.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -49.06 -28.85 4.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -60.97 -51.53 68.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -64.53 -50.79 65.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 72' ' ' VAL . 98.1 t -57.85 -47.29 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.16 -22.59 61.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -66.79 -48.78 67.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.7 mm -75.47 -39.97 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.591 HG13 ' HD3' ' A' ' 11' ' ' LYS . 78.0 t -62.44 -42.94 97.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.732 ' HB2' HD12 ' A' ' 87' ' ' LEU . 69.5 m-20 -74.14 -48.73 27.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -52.03 67.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.665 HG22 ' CZ ' ' A' ' 15' ' ' PHE . 32.2 m -61.28 -50.49 72.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -60.64 -42.32 96.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -69.87 -27.91 65.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -77.53 -38.84 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 14.5 ttp -80.79 -55.15 5.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.84 -49.14 40.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 81' ' ' ILE . 5.4 mt 55.72 24.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -142.77 164.98 28.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 76.78 -53.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 50.46 78.0 0.43 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.565 0.698 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.26 9.88 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.729 2.286 . . . . 0.0 112.353 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.3 t0 68.34 92.26 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.732 HD12 ' HB2' ' A' ' 73' ' ' ASP . 0.3 OUTLIER -39.11 -60.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.599 ' N ' HD23 ' A' ' 87' ' ' LEU . . . 174.05 -28.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.435 ' H ' HD23 ' A' ' 87' ' ' LEU . 2.9 m 67.76 11.69 8.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 48.32 33.65 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 91.1 p -101.32 -34.66 9.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.39 -25.92 61.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 p -165.55 69.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.798 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.05 -102.65 0.93 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.75 10.51 7.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.381 . . . . 0.0 110.903 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -115.17 -2.59 12.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.57 13.15 30.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.3 t -56.94 111.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.2 t80 63.26 43.76 6.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.32 156.88 1.32 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -171.49 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.687 2.258 . . . . 0.0 112.375 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -115.97 35.33 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.38 24.81 14.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 54.2 32.92 16.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 60.1 p -172.98 49.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 61.44 47.45 6.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 2.6 mtt -145.3 79.71 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -126.7 -1.17 6.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 76.7 p -49.66 -56.76 8.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.4 -21.23 66.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -77.22 -43.94 31.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.554 ' CD2' HD13 ' A' ' 46' ' ' LEU . 5.4 tt -70.06 -41.58 73.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.22 -51.84 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 m -61.56 -40.3 94.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -70.13 -48.32 58.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 m -60.47 -41.2 93.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -54.6 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -51.35 -51.09 57.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.704 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -65.1 -53.3 47.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' CD1' HD12 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -51.36 -43.44 61.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.96 85.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -75.88 -17.67 59.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -95.64 136.47 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 171.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mt -51.02 -25.24 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -47.83 60.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.632 ' OE2' HD11 ' A' ' 23' ' ' ILE . 31.7 tp10 -54.72 -58.75 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.597 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.7 -29.69 70.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.714 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -60.07 -47.57 85.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -40.65 77.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.632 HD11 ' OE2' ' A' ' 19' ' ' GLU . 95.8 mt -62.19 -55.86 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.867 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -60.47 -40.69 92.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.559 ' HA ' HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -55.5 -42.12 74.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -71.38 -40.51 70.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.133 HD22 HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -68.82 -12.12 61.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.608 ' O ' ' C ' ' A' ' 29' ' ' LEU . . . 107.15 46.36 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.452 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.608 ' C ' ' O ' ' A' ' 28' ' ' GLY . 3.0 pp -18.26 118.56 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.711 . . . . 0.0 110.94 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.623 ' HD2' HD12 ' A' ' 24' ' ' LEU . 54.4 Cg_endo -69.73 -165.84 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -69.23 -16.5 63.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -174.99 158.79 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.9 95.21 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.37 175.8 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' O ' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -47.83 -49.43 29.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -68.57 -46.24 69.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.33 -43.84 71.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.757 ' CD2' HD13 ' A' ' 24' ' ' LEU . 96.5 mt -65.15 -54.89 22.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.464 HG13 HD23 ' A' ' 12' ' ' LEU . 1.5 mp -50.93 -53.29 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.3 OUTLIER -61.07 -34.65 75.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.853 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.1 mmt-85 -65.85 -48.3 72.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 12' ' ' LEU . 42.5 t -53.98 -52.02 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 7.7 mt -59.52 -41.51 90.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.81 -26.08 68.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.133 HD11 HD22 ' A' ' 27' ' ' LEU . 42.7 mt -75.66 -52.08 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.971 HD21 HG21 ' A' ' 68' ' ' VAL . 3.5 mt -74.92 -9.88 58.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.0 m -107.54 -70.41 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -10.9 60.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.23 23.65 4.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.52 -22.23 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.47 34.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.65 63.22 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 110.93 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -140.31 9.07 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 62.31 63.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.459 ' HA ' ' NE1' ' A' ' 57' ' ' TRP . 0.5 OUTLIER 51.26 -170.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.07 41.79 1.26 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.459 ' NE1' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -113.24 -1.19 14.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.806 0.336 . . . . 0.0 110.944 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.94 -16.07 23.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.454 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -91.09 55.48 2.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER 64.51 16.44 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.534 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 0.6 OUTLIER 34.09 46.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -79.01 44.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -174.67 25.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.81 -179.88 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.475 ' HB2' HD11 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -51.51 -32.58 28.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.08 -49.23 78.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 61' ' ' ASN . . . -65.68 -53.66 38.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.971 HG21 HD21 ' A' ' 46' ' ' LEU . 86.2 t -55.62 -45.8 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.722 ' HB1' HD22 ' A' ' 87' ' ' LEU . . . -70.5 -28.62 65.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -63.57 -50.64 68.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.1 mm -70.3 -51.88 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.704 HG13 ' HB3' ' A' ' 11' ' ' LYS . 56.3 t -52.71 -39.23 29.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -70.08 -44.53 68.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -39.99 82.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.7 -44.81 63.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -67.81 -29.24 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -53.25 8.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -62.05 -39.7 93.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.7 ttm -77.28 -52.41 9.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -132.57 73.08 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 80' ' ' GLN . 13.4 mm -35.32 -46.16 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 61.61 -89.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.41 33.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 64.93 87.84 0.12 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.556 0.694 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -4.68 14.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 0.0 112.372 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.636 ' HB3' HG23 ' A' ' 89' ' ' THR . 2.4 m-20 51.41 58.82 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.722 HD22 ' HB1' ' A' ' 69' ' ' ALA . 4.3 tt -46.7 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.543 ' N ' HD23 ' A' ' 87' ' ' LEU . . . -83.52 -24.3 31.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.636 HG23 ' HB3' ' A' ' 86' ' ' ASP . 0.3 OUTLIER 61.84 103.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.89 74.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -170.49 30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.13 -28.52 8.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.9 t -179.24 69.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 115.84 108.09 2.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.0 t -151.38 15.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.88 -4.98 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.42 9.11 35.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -175.89 48.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -73.91 75.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -50.86 160.56 0.78 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -171.89 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.29 32.17 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 51.51 38.88 23.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.89 84.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.072 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 19.4 m -161.59 30.33 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 0.0 110.861 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 59.98 94.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 67.32 72.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -87.76 39.31 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.2 OUTLIER 74.06 -2.01 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.14 -34.01 68.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -79.05 -39.24 34.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -41.46 78.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 1' ' ' SER . 77.0 t -72.56 -50.4 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -59.99 -37.48 79.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.0 t -74.54 -52.7 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.8 m -58.44 -42.54 87.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -54.54 18.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -51.78 -45.48 63.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.631 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -70.35 -57.58 4.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.845 HD11 HD23 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -49.7 -42.18 45.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.82 -40.43 75.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -74.33 -13.66 60.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -100.76 138.48 37.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -56.77 -178.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.725 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.8 mt -52.29 -24.88 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -46.32 -50.17 16.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.766 ' HG3' HD12 ' A' ' 12' ' ' LEU . 8.0 tp10 -56.33 -53.9 51.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.845 HD23 HD11 ' A' ' 12' ' ' LEU . 2.7 mt -58.99 -34.59 72.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.538 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -59.76 -48.35 82.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -41.19 97.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.752 HG21 HG22 ' A' ' 42' ' ' VAL . 42.9 mm -65.6 -57.25 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.697 HD13 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -60.2 -26.87 66.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.622 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -70.25 -45.31 66.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -73.75 -27.39 61.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' HD12 ' A' ' 27' ' ' LEU . 9.7 tp -69.34 -10.98 60.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.514 ' C ' HD23 ' A' ' 29' ' ' LEU . . . 109.53 19.78 8.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.514 HD23 ' C ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER 35.17 90.74 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.882 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 174.48 9.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.333 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -47.18 -31.71 3.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -175.73 -175.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.24 94.61 0.1 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -68.24 178.58 1.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.864 0.364 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.703 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -47.88 -45.56 30.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -70.38 -49.9 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -48.47 64.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.697 HD21 HD13 ' A' ' 24' ' ' LEU . 1.9 mt -61.31 -52.32 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 35' ' ' LYS . 1.2 mt -50.32 -49.85 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -32.98 74.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -44.1 69.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.752 HG22 HG21 ' A' ' 23' ' ' ILE . 62.0 t -60.05 -58.5 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 9.8 mt -57.69 -38.81 75.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.37 -25.44 65.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.066 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -78.9 -44.75 22.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.815 HD21 HG21 ' A' ' 68' ' ' VAL . 8.8 mt -80.12 -11.08 59.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.3 m -107.47 -64.83 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -11.13 60.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -132.08 25.02 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -54.99 -21.81 13.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.83 49.42 78.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.47 32.09 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -136.3 -38.68 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -176.14 -35.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.449 ' HA ' ' CE2' ' A' ' 57' ' ' TRP . 42.8 p-80 -102.65 59.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -117.91 57.6 0.53 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.449 ' CE2' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -113.67 -14.77 12.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.921 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.25 45.06 3.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.434 ' HA ' HG21 ' A' ' 64' ' ' THR . 2.0 ttm-85 -98.3 5.72 48.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -128.69 36.34 4.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.23 17.18 17.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.5 t 51.03 41.17 27.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.0 pp -164.9 33.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.434 HG21 ' HA ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -112.43 -175.05 2.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -47.71 -32.99 6.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.19 -48.69 80.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.6 -49.69 70.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.815 HG21 HD21 ' A' ' 46' ' ' LEU . 41.2 t -56.06 -44.82 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.11 -25.89 61.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -66.74 -48.92 67.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.5 mm -73.43 -38.52 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.631 HG13 ' CB ' ' A' ' 11' ' ' LYS . 41.9 t -64.36 -40.19 88.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -72.53 -48.6 39.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.13 -42.18 99.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.1 m -69.69 -39.69 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -70.77 -43.06 69.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -70.74 -30.21 66.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -40.93 47.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.5 ttm -77.46 -44.64 28.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -76.84 -45.91 26.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 81' ' ' ILE . 6.2 mt 61.75 17.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -71.28 -169.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 71.9 m -82.27 60.47 5.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 83' ' ' CYS . . . 67.08 131.96 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.535 0.683 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -2.99 11.11 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.31 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.0 t70 68.7 52.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.0 OUTLIER -79.41 1.47 25.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 67.18 11.69 8.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.2 m 51.0 28.25 3.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 54.78 25.34 6.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 t -58.93 -38.54 79.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.52 63.52 2.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.2 p -174.44 137.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.21 92.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.2 5.88 4.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 50.82 25.75 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.0 t80 57.29 22.37 7.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.63 173.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.11 38.64 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.82 160.75 0.75 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -171.39 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.256 . . . . 0.0 112.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -141.98 33.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.07 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 179.96 -157.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 16.8 t -179.94 -42.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.933 0.397 . . . . 0.0 110.9 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -148.37 95.43 2.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' MET . . . . . 0.451 ' HB2' ' HE2' ' A' ' -2' ' ' MET . 22.9 mtm -136.15 81.47 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -1' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 1' ' ' SER . . . -82.77 54.05 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' -1' ' ' ALA . 0.4 OUTLIER 79.83 -42.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.816 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.48 -30.42 53.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.83 -41.26 44.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.65 -42.5 74.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.9 t -67.8 -51.31 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -60.61 -40.54 92.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.2 t -71.23 -54.0 12.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 54.9 m -58.35 -39.84 80.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -53.1 49.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -49.89 -52.03 36.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.552 ' CB ' HG13 ' A' ' 72' ' ' VAL . 4.2 mttm -68.48 -42.57 78.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.492 ' CD1' HD22 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -56.17 -43.11 78.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.87 -41.85 70.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -74.02 -13.29 60.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.494 ' CE1' HG22 ' A' ' 75' ' ' THR . 7.1 m-85 -100.82 133.62 45.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -60.32 -169.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.636 HG23 HD13 ' A' ' 38' ' ' LEU . 1.8 mt -62.81 -24.12 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -48.61 -48.65 39.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' OE1' HD23 ' A' ' 20' ' ' LEU . 11.5 tm-20 -66.83 -53.33 33.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.578 ' O ' HD13 ' A' ' 24' ' ' LEU . 2.1 mt -51.13 -53.88 30.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.03 -39.88 91.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.62 -52.33 55.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.746 HG22 ' CD1' ' A' ' 27' ' ' LEU . 20.8 mm -69.27 -34.37 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.589 ' CD2' HD23 ' A' ' 38' ' ' LEU . 6.0 mp -62.55 -58.84 6.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -57.09 -38.66 73.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -75.36 -19.88 59.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.746 ' CD1' HG22 ' A' ' 23' ' ' ILE . 10.6 mt -87.18 -34.04 19.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.22 41.07 10.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -122.81 77.8 48.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.665 0.745 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 83.21 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.59 61.24 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.96 -170.68 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.04 -96.35 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.86 -179.61 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.586 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -49.5 -28.34 5.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -72.81 -47.55 45.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -48.51 81.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.636 HD13 HG23 ' A' ' 17' ' ' ILE . 1.3 mt -60.22 -58.17 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -52.87 -50.18 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -62.56 -28.36 69.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -66.94 -50.89 60.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.31 -54.17 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.468 HD21 HD22 ' A' ' 12' ' ' LEU . 26.3 mt -58.31 -36.42 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.71 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.458 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.21 -44.33 30.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.054 HD21 HG21 ' A' ' 68' ' ' VAL . 12.6 mt -78.43 -12.26 60.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.1 m -106.24 -67.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.73 -12.95 61.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -130.74 24.84 5.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -53.64 -22.49 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.11 46.25 81.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -43.28 93.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.934 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.51 64.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.45 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -179.32 74.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.45 ' CG ' ' O ' ' A' ' 54' ' ' HIS . 33.0 p80 44.17 -165.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.41 33.23 0.84 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.07 -67.56 0.99 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.843 0.354 . . . . 0.0 110.948 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.485 ' O ' ' HG2' ' A' ' 59' ' ' ARG . . . 50.26 33.1 22.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER 45.17 28.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.919 -179.815 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.8 82.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.553 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -89.31 15.64 8.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.548 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER 68.04 20.41 9.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.613 ' CA ' HD23 ' A' ' 27' ' ' LEU . 3.6 pp -141.36 25.51 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.04 -178.17 4.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.0 -37.25 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -61.33 -41.72 97.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.548 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -64.6 -50.06 68.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.054 HG21 HD21 ' A' ' 46' ' ' LEU . 24.7 t -55.32 -47.58 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.01 -24.09 60.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -66.35 -49.11 68.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.584 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.0 mm -74.39 -40.59 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.552 HG13 ' CB ' ' A' ' 11' ' ' LYS . 43.9 t -61.22 -41.84 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -72.45 -48.49 40.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.11 -43.55 98.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.494 HG22 ' CE1' ' A' ' 15' ' ' PHE . 62.7 m -66.79 -43.36 84.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -67.09 -53.37 31.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -56.88 -36.13 69.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -80.79 -24.9 38.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -56.21 15.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -150.94 16.78 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 45.42 86.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -85.79 -178.43 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.5 m -72.49 68.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.46 107.45 0.62 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 111.149 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -5.57 16.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t0 63.56 66.69 0.67 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 96.8 mt -42.94 -75.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 87' ' ' LEU . . . 178.28 33.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.56 HG23 ' HG3' ' A' ' 103' ' ' GLU . 1.8 m 73.8 -60.99 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -174.17 28.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 t 177.02 107.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -94.71 -27.5 15.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.6 t -144.69 80.65 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 123.3 95.76 1.21 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.67 7.04 7.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.844 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 52.66 24.21 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.2 t80 61.37 21.32 11.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.02 -170.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.4 t80 62.0 70.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -50.76 160.6 0.76 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 95.46 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.1 34.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.56 ' HG3' HG23 ' A' ' 89' ' ' THR . 17.0 tt0 -51.02 -31.55 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -69.08 84.94 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.904 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.98 27.62 3.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.391 . . . . 0.0 110.845 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 61.44 47.46 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 10.6 mtm -145.18 83.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' ALA . . . . . 0.474 ' HB2' ' ND1' ' A' ' 92' ' ' HIS . . . -111.37 -15.78 13.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.09 -52.52 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.21 -21.68 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -77.65 -43.63 30.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 65' ' ' LYS . 10.1 tt -69.93 -41.2 74.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.1 t -68.67 -51.14 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -61.56 -38.1 86.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.4 p -72.71 -52.76 13.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' HA ' HG11 ' A' ' 72' ' ' VAL . 52.3 m -60.14 -40.02 88.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HB2' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.27 -54.05 24.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -50.93 -47.01 61.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.552 ' HB3' HG13 ' A' ' 72' ' ' VAL . 1.0 OUTLIER -70.13 -52.48 23.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.558 HD23 HG12 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -51.6 -42.81 62.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.42 -43.89 72.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -70.65 -14.52 62.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.543 ' CE1' ' HE2' ' A' ' 79' ' ' MET . 12.1 m-85 -100.98 136.51 40.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -53.93 176.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 mt -52.02 -24.37 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.02 -50.85 14.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' OE1' HG22 ' A' ' 72' ' ' VAL . 2.6 mm-40 -57.48 -55.54 33.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.897 ' O ' HD22 ' A' ' 24' ' ' LEU . 2.2 mp -54.29 -53.61 51.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -45.47 20.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.79 -43.58 90.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 68' ' ' VAL . 32.3 mm -56.97 -53.09 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.897 HD22 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -62.51 -50.19 72.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -47.46 -34.88 7.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.437 ' OE1' HD11 ' A' ' 71' ' ' ILE . 20.6 mt-30 -77.0 -37.13 55.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.837 HD23 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -81.18 -4.97 57.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.554 ' O ' HD12 ' A' ' 29' ' ' LEU . . . 112.67 41.6 1.01 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER 71.81 154.97 0.15 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.61 0.719 . . . . 0.0 110.934 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.465 ' N ' ' HB3' ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.81 177.85 5.2 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.634 2.222 . . . . 0.0 112.347 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.22 30.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.402 ' HB3' ' HB3' ' A' ' 37' ' ' ASP . 1.8 mp0 -118.61 -169.45 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.47 -120.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.79 -172.08 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.687 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -47.77 -30.93 4.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -55.39 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.402 ' HB3' ' HB3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -56.18 -46.21 79.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 35' ' ' LYS . 4.2 mt -58.64 -52.55 65.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.771 HG13 HD21 ' A' ' 20' ' ' LEU . 1.1 mt -51.23 -50.25 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -58.92 -34.63 71.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -45.44 77.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.407 HG11 HD13 ' A' ' 12' ' ' LEU . 54.7 t -57.79 -54.96 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 9' ' ' LYS . 11.5 mt -58.38 -37.47 75.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.83 -26.45 66.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -78.61 -43.87 25.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.004 HD11 HG11 ' A' ' 68' ' ' VAL . 10.0 mt -80.13 -11.53 59.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.6 m -106.68 -64.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -11.83 60.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -131.58 24.54 4.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -23.03 5.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.1 45.74 79.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -39.52 64.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -122.86 37.29 4.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.12 -170.32 3.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -132.67 -173.38 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.93 34.32 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -113.87 -71.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.9 -62.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? 178.22 -31.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.87 26.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.531 ' N ' HD22 ' A' ' 61' ' ' ASN . 0.1 OUTLIER -51.06 -24.1 3.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.904 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.842 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 13.4 m 61.79 34.71 17.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.826 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.542 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.6 mt -125.47 32.92 5.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.78 -175.8 5.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.676 ' HB2' HD11 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -48.42 -31.07 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -58.89 -49.85 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.842 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -67.03 -51.48 54.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.004 HG11 HD11 ' A' ' 46' ' ' LEU . 88.7 t -55.42 -47.15 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.5 -27.23 63.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -63.53 -51.05 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.437 HD11 ' OE1' ' A' ' 26' ' ' GLN . 15.3 mm -70.87 -52.06 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' A' ' 11' ' ' LYS . 71.1 t -51.82 -40.53 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.53 -45.88 67.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.49 -52.51 65.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -43.07 98.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -65.85 -32.5 74.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -52.64 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -60.91 -45.02 96.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.543 ' HE2' ' CE1' ' A' ' 15' ' ' PHE . 1.3 tmm? -71.58 -26.41 62.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -137.7 71.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 14.4 pt -74.03 69.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -174.25 144.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 63.43 20.68 12.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.94 118.13 11.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -6.97 19.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.323 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.411 ' C ' HD23 ' A' ' 87' ' ' LEU . 21.4 t0 64.92 33.44 9.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.411 HD23 ' C ' ' A' ' 86' ' ' ASP . 0.4 OUTLIER 45.64 30.29 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 49.6 33.5 5.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m 51.26 28.46 4.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.78 24.79 5.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.5 p -128.79 103.58 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.474 ' ND1' ' HB2' ' A' ' -1' ' ' ALA . 1.4 t-80 -176.42 -35.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.0 m -109.23 56.68 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -96.15 -92.98 1.8 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -136.55 -159.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.43 -12.92 16.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.82 12.78 9.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.7 m 59.28 43.7 16.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -165.7 57.92 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -50.85 136.13 26.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -172.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.25 . . . . 0.0 112.344 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.13 34.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -51.11 -31.86 20.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -69.36 84.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.02 -59.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -143.41 96.5 2.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.5 72.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' -1' ' ' ALA . . . . . 0.425 ' O ' ' CB ' ' A' ' 1' ' ' SER . . . -76.85 57.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' -1' ' ' ALA . 0.2 OUTLIER 78.64 -42.93 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.17 -31.88 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.33 -39.15 40.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tt -68.91 -39.8 79.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -72.68 -51.82 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -58.96 -42.0 88.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 97.4 p -68.47 -54.73 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 m -52.66 -39.35 61.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -49.15 65.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -54.36 28.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.803 ' HG3' HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -65.06 -47.62 76.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.706 ' CD1' HG21 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -54.88 -41.73 71.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.5 -41.09 80.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -69.0 -20.49 64.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.447 ' CZ ' HG22 ' A' ' 75' ' ' THR . 0.8 OUTLIER -95.44 132.6 40.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -54.35 176.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.618 HG23 HD12 ' A' ' 38' ' ' LEU . 3.7 mt -55.14 -23.47 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.09 -49.27 42.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.683 ' CG ' HG22 ' A' ' 72' ' ' VAL . 10.6 tp10 -63.26 -58.78 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.481 ' CD2' HD21 ' A' ' 12' ' ' LEU . 2.9 mp -54.4 -30.62 52.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' HD23 ' A' ' 24' ' ' LEU . 7.8 tptm -68.12 -56.04 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -54.31 -42.18 69.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.783 HD11 ' HB ' ' A' ' 71' ' ' ILE . 29.6 mm -64.4 -50.03 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -66.69 -26.25 66.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.558 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -76.6 -37.95 55.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -78.78 -29.41 44.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 63' ' ' LEU . 16.6 mt -67.67 -30.97 70.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.45 37.02 8.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.493 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.639 HD23 ' HD2' ' A' ' 41' ' ' ARG . 8.9 mp -109.59 84.14 3.02 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.6 0.714 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 74.65 1.27 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.75 -40.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.497 ' OE1' HD11 ' A' ' 24' ' ' LEU . 6.6 mm100 66.3 -160.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' HA3' ' HB3' ' A' ' 37' ' ' ASP . . . 134.6 151.9 6.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.08 176.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.712 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -50.58 -36.19 33.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -67.43 -51.31 53.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.402 ' HB3' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -56.05 -48.9 75.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.618 HD12 HG23 ' A' ' 17' ' ' ILE . 20.1 mt -56.78 -53.97 51.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -50.87 -54.8 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.438 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.8 OUTLIER -60.55 -28.72 68.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.639 ' HD2' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.95 -52.55 55.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.858 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.828 ' HA ' HD12 ' A' ' 45' ' ' LEU . 19.2 t -57.72 -52.9 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 11.1 mt -56.1 -38.66 71.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.67 71.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.828 HD12 ' HA ' ' A' ' 42' ' ' VAL . 6.9 mt -75.24 -49.78 18.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.642 HD22 ' HA ' ' A' ' 65' ' ' LYS . 2.9 mt -73.39 -12.31 60.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.0 m -106.14 -72.66 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.25 -14.21 60.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.98 24.75 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.7 pm0 -52.6 -22.85 5.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.97 45.66 71.7 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.537 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.96 -24.49 13.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.32 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -114.36 22.56 13.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.31 -172.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.7 p80 -60.15 -172.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.609 ' O ' HG21 ' A' ' 64' ' ' THR . . . 128.81 34.79 0.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.451 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.14 -63.94 1.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.596 ' HA3' HD21 ' A' ' 61' ' ' ASN . . . 54.65 23.05 27.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 42.87 65.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.99 67.24 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.596 HD21 ' HA3' ' A' ' 58' ' ' GLY . 1.1 p30 -87.32 13.3 10.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 52.2 m 49.32 41.71 20.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.687 ' HA ' HD23 ' A' ' 27' ' ' LEU . 2.6 pp -159.73 24.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.609 HG21 ' O ' ' A' ' 56' ' ' GLY . 1.1 p -131.55 -179.65 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.642 ' HA ' HD22 ' A' ' 46' ' ' LEU . 3.7 pttt -51.02 -40.16 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -42.5 94.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.425 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -65.2 -51.31 61.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.753 ' HA ' HD12 ' A' ' 23' ' ' ILE . 24.7 t -52.84 -51.0 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.14 -25.46 62.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -49.95 70.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.783 ' HB ' HD11 ' A' ' 23' ' ' ILE . 17.1 mm -67.71 -53.45 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.803 HG11 ' HG3' ' A' ' 11' ' ' LYS . 23.3 t -56.07 -35.0 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.1 -49.76 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.08 -40.07 90.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.447 HG22 ' CZ ' ' A' ' 15' ' ' PHE . 5.7 m -61.63 -48.25 81.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.41 ' HA ' ' HB3' ' A' ' 79' ' ' MET . 0.0 OUTLIER -67.83 -42.89 80.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -49.34 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.42 -25.91 41.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.41 ' HB3' ' HA ' ' A' ' 76' ' ' TYR . 7.1 ttp -56.63 -59.6 4.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.89 24.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.1 mt 41.06 37.83 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -50.59 103.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 75.6 m 45.24 85.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.424 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . . . -65.68 112.48 8.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 84' ' ' ALA . 54.1 Cg_endo -69.73 -5.44 16.19 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.729 2.286 . . . . 0.0 112.368 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 t0 66.04 61.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 tp -50.86 -25.12 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 65.01 23.4 12.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.4 m 64.75 27.33 13.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.91 22.95 9.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 t -61.54 -32.51 72.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.71 66.69 2.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.38 140.27 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -87.14 -109.68 0.89 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.533 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.13 11.53 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.849 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -122.04 -2.7 9.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.26 9.16 34.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -166.31 47.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -73.17 78.0 1.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -50.47 160.6 0.71 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -171.97 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.642 2.228 . . . . 0.0 112.331 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -141.87 33.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.16 -31.23 19.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 62.13 70.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.056 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -4' ' ' SER . . . . . 0.609 ' H ' ' HB2' ' A' ' 2' ' ' ALA . 10.3 t -103.89 -28.15 11.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.392 . . . . 0.0 110.837 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 58.0 m80 59.13 46.39 13.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 3.9 mmt -141.29 52.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' ALA . . . . . 0.55 ' HB2' ' HB3' ' A' ' 92' ' ' HIS . . . 51.27 24.83 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.096 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.583 ' O ' HG23 ' A' ' 5' ' ' VAL . 4.9 t -128.71 -32.7 2.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.609 ' HB2' ' H ' ' A' ' -4' ' ' SER . . . -67.46 -25.41 65.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -75.55 -44.35 43.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.966 HD23 HD13 ' A' ' 46' ' ' LEU . 2.9 tp -70.19 -39.94 74.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 1.01 HG22 HD11 ' A' ' 46' ' ' LEU . 98.1 t -67.49 -51.36 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -63.75 -36.65 84.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.2 m -72.98 -52.75 13.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 55.7 m -60.3 -43.63 96.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -54.41 24.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -51.25 -47.55 62.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -68.97 -59.49 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' CD1' HD12 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -47.81 -42.71 26.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.52 -41.72 79.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -71.59 -16.64 62.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -95.51 134.12 38.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -53.0 173.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.4 ' HA ' HD13 ' A' ' 20' ' ' LEU . 1.5 mt -49.88 -25.48 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -50.22 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' OE1' HG22 ' A' ' 71' ' ' ILE . 42.8 tp10 -56.94 -55.2 37.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.649 ' HB3' HD13 ' A' ' 38' ' ' LEU . 4.9 mp -59.97 -30.9 69.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.515 ' O ' HD23 ' A' ' 24' ' ' LEU . 1.3 tptt -64.36 -47.71 78.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -62.73 -41.04 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.705 HG22 HD11 ' A' ' 27' ' ' LEU . 65.2 mt -64.99 -57.59 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.988 HD13 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -59.54 -28.25 66.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.585 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -70.14 -42.22 72.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -78.82 -19.89 51.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.705 HD11 HG22 ' A' ' 23' ' ' ILE . 18.5 mt -79.19 2.55 20.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.53 ' C ' HD23 ' A' ' 29' ' ' LEU . . . 107.56 11.6 24.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.53 HD23 ' C ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER 35.82 92.19 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.949 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 29' ' ' LEU . 54.1 Cg_endo -69.78 174.55 9.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.65 2.233 . . . . 0.0 112.364 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -49.11 -31.21 7.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -174.21 -169.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.37 99.49 0.16 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -74.55 -174.62 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.353 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.676 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -52.06 -47.01 65.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -70.6 -52.21 23.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.16 -45.19 61.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.988 HD21 HD13 ' A' ' 24' ' ' LEU . 72.8 mt -63.54 -54.93 28.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -51.4 -55.1 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' HG22 ' A' ' 39' ' ' ILE . 1.1 t0 -59.67 -31.93 70.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -50.33 65.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.481 HG13 HG11 ' A' ' 68' ' ' VAL . 38.3 t -55.84 -54.21 29.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.592 ' HA ' HD23 ' A' ' 46' ' ' LEU . 6.7 mt -61.93 -30.25 70.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.23 -53.43 55.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.102 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 6.4 mp -69.51 -41.46 76.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.01 HD11 HG22 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -68.1 -23.35 64.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.4 m -103.26 -76.2 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.36 -23.89 6.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 1.4 mt-10 -122.03 26.68 8.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -52.93 -22.3 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.3 -23.34 33.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.565 ' CG ' HG22 ' A' ' 64' ' ' THR . 1.4 mp0 -62.25 -17.06 57.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -13.56 61.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -81.93 -64.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.75 165.23 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.75 47.71 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.79 -62.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.23 14.46 30.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 47.1 54.11 9.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -178.84 -32.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -47.29 -33.91 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.628 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 24.9 m 42.74 42.34 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.819 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.483 ' CB ' HD23 ' A' ' 27' ' ' LEU . 2.0 pp -140.9 20.72 2.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.565 HG22 ' CG ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -118.94 178.85 4.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -32.81 32.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.39 -42.64 87.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.628 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -64.9 -53.38 47.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.693 HG13 HD13 ' A' ' 23' ' ' ILE . 54.1 t -55.93 -46.35 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.94 -28.41 65.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -50.68 67.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.451 HG22 ' OE1' ' A' ' 19' ' ' GLU . 20.1 mm -66.98 -51.94 49.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.479 HG13 ' HB3' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -52.95 -42.1 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.689 ' OD2' HD21 ' A' ' 87' ' ' LEU . 65.6 m-20 -65.48 -43.66 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.12 -37.19 81.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -43.9 77.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -52.91 42.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -59.1 -38.67 80.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -21.03 44.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -58.94 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -136.54 -11.45 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.9 mt 71.29 -69.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -61.26 96.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.1 m -162.96 -50.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 50.11 85.93 0.17 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 0.0 111.09 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -6.46 18.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.4 t0 64.27 71.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.689 HD21 ' OD2' ' A' ' 73' ' ' ASP . 6.2 mt -58.93 -19.64 44.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 65.53 14.13 9.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m 52.58 25.93 3.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.551 ' CZ ' HD13 ' A' ' 4' ' ' LEU . 20.6 mmm180 49.97 58.61 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.3 t -161.87 76.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.55 ' HB3' ' HB2' ' A' ' -1' ' ' ALA . 1.8 t60 -101.16 -25.67 13.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t -168.46 39.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -177.82 100.9 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.52 145.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.371 . . . . 0.0 110.794 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 63.18 10.62 4.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.41 4.92 10.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 t -170.82 43.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -79.95 78.93 6.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.63 90.31 5.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -172.25 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.33 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.2 mt -142.01 34.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.19 -31.7 21.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 63.14 87.8 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.858 0.361 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.71 -21.47 66.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.054 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -78.52 -42.68 28.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 65' ' ' LYS . 7.8 tt -69.79 -40.52 75.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.0 t -70.22 -50.86 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -61.51 -37.64 84.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.5 m -73.11 -52.56 13.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.8 m -60.03 -41.33 92.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -53.73 26.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.35 -48.6 55.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.552 ' HB3' HG13 ' A' ' 72' ' ' VAL . 6.3 mptt -68.95 -55.55 10.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -48.89 -42.43 36.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.35 -43.72 73.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -71.37 -13.79 61.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -98.95 135.29 40.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -52.29 173.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt -50.07 -25.52 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.55 -49.31 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.658 ' OE1' HD11 ' A' ' 23' ' ' ILE . 2.2 tm-20 -54.03 -55.12 30.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.765 HD22 ' HB2' ' A' ' 38' ' ' LEU . 1.2 mp -62.28 -32.19 72.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.541 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -59.53 -51.76 68.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.537 ' HB3' HG21 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -63.45 -41.12 98.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.658 HD11 ' OE1' ' A' ' 19' ' ' GLU . 42.9 mt -63.49 -57.98 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.707 HD13 ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -61.86 -27.08 68.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.595 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -67.34 -46.83 72.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -70.92 -32.8 69.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.66 HD23 ' CB ' ' A' ' 63' ' ' LEU . 4.2 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.687 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.781 0.324 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -70.55 -50.77 34.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -48.71 67.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.765 ' HB2' HD22 ' A' ' 20' ' ' LEU . 5.3 mt -61.46 -54.22 46.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.759 HG13 HD21 ' A' ' 20' ' ' LEU . 1.3 mt -50.54 -50.2 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -31.41 71.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -47.73 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 12' ' ' LEU . 53.1 t -58.57 -57.58 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 13.1 mt -56.7 -42.29 78.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.02 -21.61 65.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.487 HD22 HD21 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -80.81 -42.53 21.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.847 HD21 HG21 ' A' ' 68' ' ' VAL . 5.6 mt -86.27 -6.76 58.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.8 m -110.34 -53.23 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.01 -7.64 53.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.66 ' CB ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.939 0.399 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.466 HG22 ' HE3' ' A' ' 65' ' ' LYS . 0.3 OUTLIER -118.13 -179.86 3.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.803 ' HB3' HD11 ' A' ' 4' ' ' LEU . 1.7 mtmp? -53.14 -39.42 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -54.56 -45.18 73.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.56 -54.3 25.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.847 HG21 HD21 ' A' ' 46' ' ' LEU . 93.2 t -54.37 -44.3 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.29 73.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -62.1 -50.01 73.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.631 HG22 ' OE2' ' A' ' 19' ' ' GLU . 23.4 mm -65.93 -52.64 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' A' ' 11' ' ' LYS . 76.6 t -52.02 -40.85 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.13 -46.05 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -60.61 -34.77 74.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -39.14 70.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.48 -52.28 41.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -36.11 81.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -78.93 -24.26 44.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.8 ttp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 179.886 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.1 -21.35 66.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.7 -42.17 29.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tt -70.0 -40.05 75.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.651 HG22 ' HB2' ' A' ' 46' ' ' LEU . 96.1 t -70.97 -52.06 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -59.75 -40.99 89.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.8 m -69.68 -47.3 63.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.8 m -60.66 -40.15 91.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -54.63 22.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -51.1 -48.97 61.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.582 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -67.85 -54.01 22.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.487 HD21 HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -50.17 -43.78 52.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.44 -38.22 77.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -73.07 -17.56 61.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -99.27 135.63 40.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -52.88 173.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mt -50.01 -25.85 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.14 -49.96 30.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -54.59 -54.64 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.663 ' HB3' HD13 ' A' ' 38' ' ' LEU . 1.8 mp -62.14 -32.01 72.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.584 ' O ' HD23 ' A' ' 24' ' ' LEU . 1.2 tttp -60.0 -48.88 79.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.84 -38.15 82.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.637 HG22 HD12 ' A' ' 27' ' ' LEU . 58.3 mt -65.14 -54.11 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.991 HD13 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -63.94 -33.06 74.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.542 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -64.56 -42.47 95.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -77.22 -31.61 55.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.637 HD12 HG22 ' A' ' 23' ' ' ILE . 6.1 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.696 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.765 0.317 . . . . 0.0 110.916 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -71.44 -52.09 20.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.11 -46.47 65.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.991 HD21 HD13 ' A' ' 24' ' ' LEU . 70.9 mt -64.27 -55.54 20.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -51.28 -55.07 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -61.3 -30.33 70.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -69.13 -49.0 60.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.416 HG21 HD13 ' A' ' 12' ' ' LEU . 50.8 t -58.27 -55.71 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 7.9 mt -59.01 -37.95 78.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.1 66.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -79.12 -44.55 21.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.651 ' HB2' HG22 ' A' ' 5' ' ' VAL . 8.0 mt -80.9 -10.09 59.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.0 m -108.86 -63.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -10.43 59.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.517 ' CA ' HD23 ' A' ' 27' ' ' LEU . 4.2 pp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -129.76 -177.6 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.436 ' H ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -48.66 -32.18 7.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -48.01 82.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.1 -50.85 66.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.71 -45.94 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.26 -24.61 61.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -66.84 -49.42 65.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.9 mm -73.46 -39.02 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.582 HG13 ' CB ' ' A' ' 11' ' ' LYS . 13.8 t -64.84 -39.13 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -72.59 -48.89 36.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -63.75 -37.56 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.5 m -75.04 -35.51 61.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -75.25 -34.93 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -78.78 -34.78 45.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -34.91 52.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.7 ttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 179.854 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.894 0.378 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.4 -21.83 64.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.66 -42.22 35.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 65' ' ' LYS . 2.1 tt -70.08 -40.39 75.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.07 -52.15 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 t -60.09 -42.3 94.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.1 m -68.41 -42.05 79.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 m -62.44 -44.01 97.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.594 ' HD2' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -64.14 -55.47 21.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -50.97 -51.71 49.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.495 ' HG2' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -64.4 -52.67 57.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.004 HD21 HD21 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -51.19 -43.98 61.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.69 76.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.108 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -80.18 -12.98 59.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.409 ' HE2' HG13 ' A' ' 72' ' ' VAL . 17.1 m-85 -97.93 5.88 48.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? 64.25 -167.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.777 ' HA ' HD12 ' A' ' 20' ' ' LEU . 3.2 mt -64.53 -24.65 36.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -49.53 18.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -53.64 55.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.004 HD21 HD21 ' A' ' 12' ' ' LEU . 2.0 mt -57.96 -39.83 79.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -46.01 82.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -42.17 99.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.591 ' O ' HD12 ' A' ' 27' ' ' LEU . 43.6 mm -62.49 -57.36 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -58.68 -32.83 69.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -43.75 93.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -68.47 -38.17 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 23' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.732 ' HG3' HD12 ' A' ' 39' ' ' ILE . 4.8 tppp? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.752 0.31 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -71.18 -52.12 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -49.26 76.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.474 ' CB ' HD22 ' A' ' 20' ' ' LEU . 7.2 mt -59.68 -54.76 42.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.732 HD12 ' HG3' ' A' ' 35' ' ' LYS . 2.1 mt -51.04 -51.41 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -58.07 -32.51 68.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -52.28 49.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.794 ' HA ' HD12 ' A' ' 45' ' ' LEU . 33.4 t -53.71 -53.77 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.594 HD11 ' HD2' ' A' ' 9' ' ' LYS . 7.4 mt -60.31 -36.04 76.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.43 -29.99 71.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 42' ' ' VAL . 4.7 mt -75.89 -49.94 16.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.738 HD21 HG21 ' A' ' 68' ' ' VAL . 3.0 mt -74.89 -10.05 59.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.9 m -108.25 -70.49 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -12.44 61.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.911 0.386 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.414 HG22 ' H ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -122.84 -178.84 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.608 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -49.72 -33.62 16.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -47.73 82.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.23 -52.78 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.738 HG21 HD21 ' A' ' 46' ' ' LEU . 40.9 t -54.94 -43.14 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.75 -30.07 67.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -65.1 -47.9 75.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.9 mm -70.3 -39.78 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.495 HG13 ' HG2' ' A' ' 11' ' ' LYS . 14.2 t -61.37 -41.25 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.84 -49.62 44.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -41.51 98.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.8 m -63.27 -47.46 82.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -50.54 66.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -42.71 71.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -77.25 -25.7 51.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 44.6 ttm . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.848 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.883 0.373 . . . . 0.0 110.864 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.23 -34.39 65.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -80.06 -37.51 33.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.23 -41.62 76.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 1' ' ' SER . 79.3 t -72.53 -50.91 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.17 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t -59.5 -39.62 84.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.2 p -72.06 -51.74 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 m -58.94 -40.55 84.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HB2' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -65.83 -54.72 23.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -51.64 -46.81 63.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HD3' HG12 ' A' ' 72' ' ' VAL . 70.8 mttt -68.77 -55.75 10.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.93 HD21 HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -50.8 -41.64 57.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.92 80.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -76.1 -11.57 59.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -98.3 135.77 39.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -56.37 -179.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mt -53.43 -23.88 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.71 -49.94 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.687 ' OE1' HG21 ' A' ' 75' ' ' THR . 0.2 OUTLIER -56.12 -56.89 15.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.93 HD11 HD21 ' A' ' 12' ' ' LEU . 4.0 mm? -57.8 -33.52 68.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.556 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.93 -48.06 83.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' CB ' HG21 ' A' ' 71' ' ' ILE . 1.3 m-20 -62.88 -41.4 99.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.825 HG21 HG22 ' A' ' 42' ' ' VAL . 36.6 mm -65.92 -57.5 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.638 HD23 ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -60.14 -26.39 66.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.638 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -70.72 -47.76 58.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -69.78 -27.53 64.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' HD12 ' A' ' 27' ' ' LEU . 9.7 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.799 0.333 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -71.43 -52.05 20.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -47.91 63.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.639 ' HB3' HD12 ' A' ' 20' ' ' LEU . 4.9 mt -62.12 -51.77 66.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.623 HG12 HD23 ' A' ' 12' ' ' LEU . 4.7 mt -50.72 -51.56 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.29 -34.61 76.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -65.94 -44.37 85.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.825 HG22 HG21 ' A' ' 23' ' ' ILE . 43.4 t -61.07 -58.04 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 13.3 mt -53.24 -40.3 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.06 -27.85 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.468 ' HG ' HD23 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.91 -43.71 29.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.965 HD11 HG11 ' A' ' 68' ' ' VAL . 14.1 mt -78.52 -14.15 59.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.4 m -104.22 -67.15 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -13.06 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.402 ' C ' HD12 ' A' ' 63' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.876 0.37 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -106.59 179.7 4.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.516 ' HA ' HD22 ' A' ' 46' ' ' LEU . 36.9 pttt -51.63 -46.11 63.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.91 -41.23 61.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.53 -54.12 22.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.965 HG11 HD11 ' A' ' 46' ' ' LEU . 94.9 t -53.59 -47.22 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.71 -28.95 66.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -64.08 -51.45 63.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.406 HG21 ' CB ' ' A' ' 22' ' ' ASP . 17.3 mm -66.9 -53.32 35.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 68' ' ' VAL . 71.5 t -53.9 -39.58 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -63.97 -49.18 73.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -57.53 -43.02 84.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.687 HG21 ' OE1' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -60.73 -52.02 66.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -46.42 87.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.76 -42.45 68.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -79.06 -26.02 43.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.7 ttm . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.852 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.525 ' O ' HG23 ' A' ' 5' ' ' VAL . 4.2 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.842 0.353 . . . . 0.0 110.83 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.89 -25.73 66.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.92 -43.13 36.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.589 HD23 HD13 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -69.95 -39.84 75.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.829 HG22 ' HB2' ' A' ' 46' ' ' LEU . 90.8 t -70.13 -52.11 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -60.42 -40.42 90.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.1 t -69.77 -48.22 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 m -60.35 -42.0 94.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -54.17 35.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -50.87 -50.26 57.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.595 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -66.98 -55.96 12.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.712 HD13 HG21 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -49.01 -42.76 39.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.42 -39.39 77.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -76.19 -11.78 59.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -102.07 135.22 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -52.27 173.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.497 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -50.99 -24.91 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.08 -51.1 18.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.428 ' OE1' HG22 ' A' ' 71' ' ' ILE . 29.6 tp10 -56.07 -54.52 44.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.666 ' CB ' HD13 ' A' ' 38' ' ' LEU . 1.1 mp -60.49 -31.35 70.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.569 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -61.08 -48.1 83.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.639 ' HB3' HG21 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -64.59 -42.07 95.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 68' ' ' VAL . 46.3 mm -63.32 -57.54 11.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.027 HD13 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -59.51 -32.14 70.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.585 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -63.23 -43.62 97.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -70.49 -34.75 72.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.842 HD23 ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.577 ' HE3' HD11 ' A' ' 39' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.796 0.331 . . . . 0.0 110.879 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -71.01 -44.2 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.32 -45.22 81.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.027 HD21 HD13 ' A' ' 24' ' ' LEU . 89.9 mt -61.15 -58.07 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.616 HD12 ' CD2' ' A' ' 20' ' ' LEU . 1.3 mp -51.5 -54.49 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' HG22 ' A' ' 39' ' ' ILE . 1.1 t70 -61.43 -30.53 70.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -69.44 -52.53 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.795 ' HA ' HD12 ' A' ' 45' ' ' LEU . 48.4 t -53.46 -55.33 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 5.7 mt -59.83 -36.07 76.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.29 -31.65 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' A' ' 42' ' ' VAL . 3.8 mt -75.38 -50.28 16.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.829 ' HB2' HG22 ' A' ' 5' ' ' VAL . 4.0 mt -72.72 -11.63 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.9 m -107.1 -73.02 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -14.43 59.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.547 HD23 HD22 ' A' ' 45' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.902 0.382 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.2 159.2 38.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -53.84 -34.7 60.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -63.95 -40.35 96.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.58 -53.55 40.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.499 ' HA ' HD12 ' A' ' 23' ' ' ILE . 84.8 t -56.78 -45.32 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.85 -28.23 65.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -63.86 -50.56 68.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.639 HG21 ' HB3' ' A' ' 22' ' ' ASP . 13.0 mm -67.85 -51.68 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.595 HG13 ' HB3' ' A' ' 11' ' ' LYS . 77.3 t -53.66 -40.06 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -66.87 -45.77 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.32 -39.94 80.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -45.2 75.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -64.92 -31.2 72.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.4 -46.23 49.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -37.84 85.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.4 ttp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.867 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.869 0.366 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.15 -21.43 66.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -77.4 -43.78 31.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.81 -41.7 74.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.05 -51.21 51.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -61.62 -38.25 86.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.9 t -72.71 -53.16 12.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.482 ' HA ' HG11 ' A' ' 72' ' ' VAL . 56.1 m -60.09 -38.25 82.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -53.54 24.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -52.07 -44.71 64.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.63 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -72.18 -60.34 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 39' ' ' ILE . 0.5 OUTLIER -48.78 -40.41 28.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.08 68.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -75.4 -7.57 54.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 75' ' ' THR . 9.6 m-85 -98.97 136.56 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -52.84 174.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.632 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.7 mt -50.57 -24.75 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.29 -49.37 23.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.538 ' OE2' HG22 ' A' ' 71' ' ' ILE . 2.2 mm-40 -56.8 -56.04 26.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.785 HD21 HG13 ' A' ' 39' ' ' ILE . 3.6 mt -56.13 -40.45 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -42.73 93.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -62.97 -41.97 99.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.477 HG21 HG22 ' A' ' 42' ' ' VAL . 39.6 mm -62.24 -57.44 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.431 HD12 ' C ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -60.15 -31.88 70.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -45.23 86.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -68.24 -35.85 78.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.601 ' O ' HD12 ' A' ' 27' ' ' LEU . 3.1 tp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.571 ' HA ' HD12 ' A' ' 38' ' ' LEU . 5.0 mtpt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.686 0.279 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -71.68 -45.91 60.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -46.59 89.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.623 ' HB2' HD22 ' A' ' 20' ' ' LEU . 1.7 mt -63.75 -56.92 11.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.785 HG13 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -51.22 -49.29 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' N ' HG22 ' A' ' 39' ' ' ILE . 2.3 t70 -63.67 -31.8 73.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.48 -46.71 63.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.477 HG22 HG21 ' A' ' 23' ' ' ILE . 54.9 t -58.85 -57.52 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 19.7 mt -57.26 -42.55 81.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.58 -22.26 66.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -81.51 -43.66 18.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.842 HD11 HG11 ' A' ' 68' ' ' VAL . 5.3 mt -84.84 -5.59 59.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 78.9 m -112.65 -55.91 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.43 -7.52 58.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.431 HD12 ' C ' ' A' ' 63' ' ' LEU . 4.4 pp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.914 0.388 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.36 -177.95 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -48.9 -30.46 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -49.03 75.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.92 -52.1 52.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.842 HG11 HD11 ' A' ' 46' ' ' LEU . 99.7 t -56.09 -46.08 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.4 -23.97 60.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -67.4 -49.87 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.538 HG22 ' OE2' ' A' ' 19' ' ' GLU . 14.3 mm -74.14 -39.31 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.63 HG13 ' CB ' ' A' ' 11' ' ' LYS . 38.9 t -64.14 -40.35 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -72.76 -44.02 62.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -66.85 -44.82 80.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.569 HG22 ' CZ ' ' A' ' 15' ' ' PHE . 39.2 m -67.18 -39.08 86.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -73.17 -51.46 17.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -58.45 -37.81 76.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -24.97 37.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.7 ttp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 5' ' ' VAL . 68.0 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.852 0.358 . . . . 0.0 110.841 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.92 -26.09 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.94 -43.51 35.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.487 HD21 ' CB ' ' A' ' 65' ' ' LYS . 2.3 tp -69.4 -41.72 76.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 1' ' ' SER . 90.2 t -67.97 -51.58 47.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m -61.42 -37.84 84.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 64.1 m -73.11 -52.97 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.7 m -59.62 -39.75 85.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -53.77 24.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -50.98 -48.33 61.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -67.15 -57.9 5.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.837 HD11 HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -49.17 -41.19 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.4 -40.85 81.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -76.42 -12.74 60.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -98.55 134.41 41.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -54.17 176.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.752 ' HA ' HD12 ' A' ' 20' ' ' LEU . 2.0 mt -51.5 -24.75 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.62 -49.31 27.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' OE2' HG22 ' A' ' 71' ' ' ILE . 2.5 mm-40 -54.89 -56.96 13.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.837 HD23 HD11 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -59.58 -32.25 70.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.55 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.66 -47.62 84.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -40.34 95.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.613 HG21 HG22 ' A' ' 42' ' ' VAL . 38.9 mm -66.06 -57.23 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.727 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -60.5 -26.45 66.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.618 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -72.17 -43.8 64.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -76.54 -24.84 53.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 24' ' ' LEU . 20.6 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.678 0.275 . . . . 0.0 110.853 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.6 -55.16 25.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.75 -48.95 63.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.668 ' HB3' HD22 ' A' ' 20' ' ' LEU . 27.9 mt -55.58 -52.28 64.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.654 ' HA ' HD21 ' A' ' 12' ' ' LEU . 1.3 mt -51.25 -54.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -61.43 -26.61 67.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -50.15 60.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.613 HG22 HG21 ' A' ' 23' ' ' ILE . 25.0 t -60.3 -54.35 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 11.1 mt -57.36 -39.43 75.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.37 -24.88 63.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.49 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.82 -44.91 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.999 HD21 HG21 ' A' ' 68' ' ' VAL . 8.5 mt -80.1 -11.75 59.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.5 m -106.59 -65.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.65 -11.68 60.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 3.4 mt-10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.685 ' CB ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.899 0.38 . . . . 0.0 110.945 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.45 -178.97 5.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -50.89 -36.11 36.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.07 -45.09 93.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.87 -53.58 48.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.999 HG21 HD21 ' A' ' 46' ' ' LEU . 84.4 t -54.34 -43.32 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.62 -31.7 69.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -64.05 -50.39 68.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.448 HG22 ' OE2' ' A' ' 19' ' ' GLU . 20.4 mm -66.97 -52.53 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.474 HG13 ' HB3' ' A' ' 11' ' ' LYS . 45.2 t -52.18 -41.14 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -66.7 -42.37 86.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.12 -48.48 78.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -51.07 71.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -46.07 85.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -51.88 -46.61 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -79.68 -25.01 41.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.508 ' O ' HG23 ' A' ' 5' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.06 -31.74 66.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.55 -39.85 44.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 65' ' ' LYS . 1.9 tt -69.64 -41.17 75.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 1' ' ' SER . 74.1 t -71.78 -52.04 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -58.28 -40.95 83.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.2 m -70.26 -50.69 37.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.0 m -58.65 -44.47 90.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -54.05 45.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.18 -44.37 61.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.515 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -69.76 -59.25 3.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.629 HD23 ' CG1' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -49.47 -41.22 39.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.39 79.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -76.53 -11.61 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.524 ' CE1' HG22 ' A' ' 75' ' ' THR . 13.1 m-85 -94.64 133.37 38.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -52.51 173.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -50.3 -25.96 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -49.55 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.32 -54.33 46.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.805 HD23 ' HB2' ' A' ' 38' ' ' LEU . 9.7 mp -54.51 -39.69 67.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -46.24 89.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -43.68 86.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.788 HG21 HG22 ' A' ' 42' ' ' VAL . 47.1 mm -62.25 -57.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -59.56 -31.6 69.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -46.27 83.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -67.18 -35.44 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.6 tp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.728 ' HG2' HD22 ' A' ' 20' ' ' LEU . 8.1 mtpt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.724 0.297 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -71.99 -47.98 48.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -49.62 77.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.805 ' HB2' HD23 ' A' ' 20' ' ' LEU . 1.4 mt -60.8 -56.47 20.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.629 ' CG1' HD23 ' A' ' 12' ' ' LEU . 3.1 mt -51.52 -50.21 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -58.64 -32.0 68.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -47.29 67.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.788 HG22 HG21 ' A' ' 23' ' ' ILE . 51.8 t -58.35 -57.54 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 13.2 mt -57.15 -43.08 82.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.39 -21.46 66.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.478 HD11 ' O ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -81.26 -42.25 20.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.815 HD11 HG21 ' A' ' 68' ' ' VAL . 4.3 mt -87.77 -4.91 58.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.7 m -112.55 -49.43 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.89 -5.58 44.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 1.9 mt-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.478 ' O ' HD11 ' A' ' 45' ' ' LEU . 1.2 pp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.912 0.387 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.35 -179.65 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.466 ' HB2' HD21 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -50.79 -30.45 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -65.32 -47.55 76.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.85 -52.71 55.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.815 HG21 HD11 ' A' ' 46' ' ' LEU . 97.8 t -55.35 -45.17 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.19 -28.63 64.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -64.36 -49.52 71.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.8 mm -71.13 -40.09 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.515 HG13 ' CB ' ' A' ' 11' ' ' LYS . 37.7 t -59.25 -41.67 84.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -71.31 -49.37 43.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.66 -40.72 93.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.524 HG22 ' CE1' ' A' ' 15' ' ' PHE . 62.6 m -67.49 -42.21 83.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.21 -52.4 48.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -59.16 -36.88 76.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -22.71 41.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 ttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.871 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.4 m . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.843 0.354 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.02 -21.43 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -79.04 -41.96 27.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tt -70.02 -39.42 75.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.618 HG22 ' HB2' ' A' ' 46' ' ' LEU . 98.7 t -71.9 -52.22 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -59.18 -41.77 89.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.1 t -68.84 -46.92 67.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.428 ' SG ' HG12 ' A' ' 68' ' ' VAL . 8.7 m -61.44 -39.96 92.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -54.98 21.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -51.42 -50.75 59.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.658 ' CD ' HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -65.17 -57.62 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.55 HD11 ' HG ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -49.31 -41.34 38.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.62 -35.54 77.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -81.25 -11.22 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -102.73 139.29 38.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -50.75 170.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mt -52.66 -22.6 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -49.59 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.33 -53.62 55.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.72 HD21 HG13 ' A' ' 39' ' ' ILE . 6.3 mp -58.44 -31.31 67.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.564 ' HA ' HD22 ' A' ' 24' ' ' LEU . 1.7 tttm -68.42 -45.62 72.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -62.59 -39.47 93.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.572 HG21 HG22 ' A' ' 42' ' ' VAL . 46.3 mm -67.57 -57.75 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -59.54 -26.32 65.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.64 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -74.83 -45.97 39.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -68.79 -28.62 66.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 24' ' ' LEU . 17.8 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.64 ' HD2' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.689 0.28 . . . . 0.0 110.852 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -70.45 -48.11 57.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -48.19 82.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.61 HD21 HD13 ' A' ' 24' ' ' LEU . 71.9 mt -58.93 -56.21 25.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.72 HG13 HD21 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -52.12 -53.69 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' N ' HG22 ' A' ' 39' ' ' ILE . 9.6 t0 -57.34 -30.07 64.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.53 -49.42 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.572 HG22 HG21 ' A' ' 23' ' ' ILE . 44.8 t -57.41 -55.59 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 6.7 mt -59.52 -38.24 80.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.73 -25.73 67.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.482 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -79.74 -44.55 20.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.768 HD21 HG21 ' A' ' 68' ' ' VAL . 6.7 mt -81.6 -6.83 59.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.5 m -112.74 -63.02 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -10.54 59.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 2.3 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.433 ' CB ' HD23 ' A' ' 27' ' ' LEU . 2.1 pp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.866 0.365 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 p -139.84 179.76 6.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.691 ' HG2' HD22 ' A' ' 46' ' ' LEU . 36.4 mtmt -51.92 -34.7 42.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -46.31 89.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.53 -51.05 67.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.768 HG21 HD21 ' A' ' 46' ' ' LEU . 36.2 t -55.71 -47.25 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.44 -28.65 66.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -49.67 74.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.3 mm -72.32 -34.47 49.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.658 HG13 ' CD ' ' A' ' 11' ' ' LYS . 17.6 t -59.12 -47.1 91.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -74.06 -39.45 63.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -51.8 65.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.3 m -66.85 -38.41 86.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -66.91 -53.69 29.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -59.33 -34.35 72.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.53 -24.17 36.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.887 0.375 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.73 -20.97 66.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -77.36 -45.0 27.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -69.82 -41.27 75.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.0 t -67.78 -51.55 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 t -61.69 -38.25 87.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.0 m -72.33 -52.44 16.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.2 m -60.12 -40.58 90.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -54.27 26.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -51.08 -46.03 61.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HB3' HG13 ' A' ' 72' ' ' VAL . 1.8 mmtp -69.31 -52.02 31.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.684 HD11 HG21 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -53.08 -41.74 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.92 -43.37 75.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -72.79 -14.8 61.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -97.47 132.16 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -50.96 170.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mt -50.27 -25.34 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.83 -49.46 29.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -58.3 -52.89 63.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.716 HD21 HG13 ' A' ' 39' ' ' ILE . 6.6 mp -60.25 -32.92 71.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.53 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -65.01 -47.73 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.85 -41.21 97.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.46 HD13 HG13 ' A' ' 68' ' ' VAL . 82.1 mt -65.72 -58.06 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -59.47 -26.37 65.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.63 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -73.27 -44.37 59.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -75.38 -22.52 57.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 24' ' ' LEU . 26.3 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.608 ' HG3' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.735 0.302 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -52.15 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.99 -47.74 82.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.511 ' CB ' HD23 ' A' ' 20' ' ' LEU . 6.8 mt -58.52 -54.61 45.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.716 HG13 HD21 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -51.55 -49.58 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.83 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' N ' HG22 ' A' ' 39' ' ' ILE . 1.4 t0 -59.37 -32.95 70.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -47.31 69.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.684 HG21 HD11 ' A' ' 12' ' ' LEU . 60.2 t -58.25 -57.03 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 8.1 mt -57.03 -39.38 74.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.64 -25.16 65.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.507 HD22 HD21 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -79.09 -44.34 22.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.988 HD21 HG21 ' A' ' 68' ' ' VAL . 8.2 mt -80.88 -10.21 59.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.5 m -108.25 -63.64 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.17 -10.45 59.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 2.9 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.57 ' HA ' HD23 ' A' ' 27' ' ' LEU . 3.2 pp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.868 0.366 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.67 -179.44 5.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.613 ' HA ' HD22 ' A' ' 46' ' ' LEU . 1.8 mtmt -50.86 -37.12 41.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -42.62 99.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.79 -53.47 46.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.988 HG21 HD21 ' A' ' 46' ' ' LEU . 58.9 t -54.56 -45.3 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.4 -30.96 69.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -62.1 -50.31 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.2 mm -67.12 -51.92 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.449 HG13 ' HB3' ' A' ' 11' ' ' LYS . 54.8 t -52.74 -39.33 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.7 -44.43 77.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -51.73 68.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -42.45 94.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -67.12 -45.61 76.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -45.5 77.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -79.33 -23.46 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.8 ttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.881 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.868 0.366 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.47 -32.54 66.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -78.0 -40.22 39.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.701 HD11 ' HB2' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -69.23 -41.84 76.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 1' ' ' SER . 76.1 t -70.83 -51.85 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 m -58.77 -40.43 83.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.1 m -71.22 -48.98 48.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.6 m -60.0 -44.41 94.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -54.34 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -50.51 -49.76 54.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -65.89 -53.43 39.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.549 HD11 HG21 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -50.98 -43.2 60.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.36 82.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -73.18 -19.3 61.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -97.71 132.45 43.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -51.87 171.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt -51.34 -24.85 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -47.82 -49.74 28.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.83 -53.07 61.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.672 HD21 HG13 ' A' ' 39' ' ' ILE . 6.6 mp -58.5 -31.58 68.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.522 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.59 -47.72 68.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.824 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -41.67 97.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.6 -58.42 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.779 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -60.23 -26.98 66.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.619 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -69.77 -46.53 65.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -68.9 -30.66 69.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.779 HD23 ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.636 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.769 0.319 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -71.67 -47.24 55.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -48.97 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.772 ' CD2' HD13 ' A' ' 24' ' ' LEU . 4.7 mt -62.75 -57.06 12.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.672 HG13 HD21 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -51.52 -50.26 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.837 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -60.56 -32.74 71.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.26 -47.27 68.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.549 HG21 HD11 ' A' ' 12' ' ' LEU . 51.4 t -59.32 -57.56 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 10.8 mt -57.51 -37.33 72.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.49 -27.54 67.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.053 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.485 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -78.04 -44.96 24.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.753 HD21 HG21 ' A' ' 68' ' ' VAL . 10.7 mt -78.49 -11.87 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.5 m -106.99 -67.23 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.27 -12.12 61.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.874 0.369 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -178.2 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.701 ' HB2' HD11 ' A' ' 4' ' ' LEU . 1.4 pttm -49.5 -31.02 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.37 -45.01 73.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.39 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.753 HG21 HD21 ' A' ' 46' ' ' LEU . 54.7 t -56.7 -43.61 79.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.3 -25.84 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -48.7 70.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.3 mm -75.38 -40.68 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.465 HG13 ' HB3' ' A' ' 11' ' ' LYS . 6.4 t -62.82 -41.93 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.59 -49.27 33.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -60.78 -39.7 89.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.513 HG22 ' SD ' ' A' ' 79' ' ' MET . 87.4 m -69.7 -42.72 73.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -67.94 -52.52 35.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -58.77 -45.96 88.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -32.93 73.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.513 ' SD ' HG22 ' A' ' 75' ' ' THR . 3.1 mtp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.913 0.387 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.33 -21.23 66.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.71 -43.54 30.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.68 HD11 ' HB3' ' A' ' 65' ' ' LYS . 9.5 tt -69.76 -41.57 75.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.8 t -68.37 -51.44 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -61.55 -38.55 87.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.6 t -72.07 -50.39 28.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.4 m -61.32 -40.05 92.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HB2' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -66.8 -54.74 19.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.88 -48.65 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.629 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -66.58 -58.49 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.569 HD21 HG13 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -49.34 -42.65 42.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.23 -38.58 85.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -74.77 -18.38 60.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -91.33 143.48 26.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -66.43 177.36 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.481 HG23 ' HE2' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -48.66 -26.59 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.57 -49.45 46.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.453 ' OE1' HG22 ' A' ' 71' ' ' ILE . 17.6 tp10 -60.83 -58.07 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.684 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.2 mp -56.27 -30.85 62.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -49.72 66.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -60.42 -41.26 93.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.528 HD12 ' CD1' ' A' ' 12' ' ' LEU . 62.3 mt -64.4 -57.73 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.446 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -58.67 -32.75 69.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -44.54 86.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -68.36 -32.27 72.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.457 ' O ' HD12 ' A' ' 27' ' ' LEU . 9.6 tp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.684 ' HE3' HD22 ' A' ' 20' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.785 0.326 . . . . 0.0 110.924 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -50.63 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.54 -47.15 73.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.684 HD12 ' NZ ' ' A' ' 35' ' ' LYS . 72.4 mt -56.62 -56.52 20.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.683 HG13 HD21 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -52.62 -54.22 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.784 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' HG22 ' A' ' 39' ' ' ILE . 5.4 t70 -57.07 -31.97 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -46.09 59.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.5 t -57.25 -57.52 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 6.7 mt -58.22 -40.91 82.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.94 64.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -80.61 -44.86 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.953 HD11 HG11 ' A' ' 68' ' ' VAL . 7.2 mt -81.68 -8.46 59.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 m -110.5 -61.99 1.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -9.32 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.401 HD12 ' C ' ' A' ' 63' ' ' LEU . 3.7 pp . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.88 -178.51 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.68 ' HB3' HD11 ' A' ' 4' ' ' LEU . 18.9 mtmt -49.07 -30.94 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.71 -51.01 71.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.83 -51.7 56.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.953 HG11 HD11 ' A' ' 46' ' ' LEU . 48.5 t -56.3 -46.27 81.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.09 -26.03 61.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -65.16 -49.92 67.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.453 HG22 ' OE1' ' A' ' 19' ' ' GLU . 16.0 mm -72.66 -40.76 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.629 HG13 ' CB ' ' A' ' 11' ' ' LYS . 42.7 t -64.08 -38.37 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -71.24 -48.54 50.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.0 -43.37 92.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.6 m -62.03 -48.98 77.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -68.69 -47.91 65.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.71 -43.27 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -79.43 -25.25 42.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.9 tpp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.888 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.896 0.379 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.27 -21.85 66.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.88 -43.11 31.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' A' ' 65' ' ' LYS . 3.8 tt -69.87 -41.3 74.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.01 -51.5 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -60.87 -39.28 88.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.5 m -71.59 -52.56 17.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 m -59.85 -39.39 85.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -54.07 29.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -51.75 -47.49 64.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.626 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -69.25 -60.38 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.026 HD21 HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -47.44 -43.21 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.38 77.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -72.29 -16.89 61.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -96.0 136.32 36.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -55.36 178.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mt -52.34 -24.86 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -48.28 37.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -58.25 -55.47 34.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 1.026 HD11 HD21 ' A' ' 12' ' ' LEU . 4.2 mm? -56.36 -51.89 66.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.561 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -55.04 -48.11 73.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.66 -49.68 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.3 mt -67.91 -59.48 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.649 HD23 ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -50.14 -27.79 6.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.649 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -76.61 -46.16 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -63.62 -37.21 86.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.606 HD13 ' CB ' ' A' ' 63' ' ' LEU . 5.3 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.715 0.293 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -71.74 -45.48 61.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -48.1 83.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 20' ' ' LEU . 70.6 mt -62.92 -55.37 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.47 HG12 HD23 ' A' ' 12' ' ' LEU . 5.9 mt -51.66 -55.42 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -56.69 -33.89 66.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.566 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.62 -55.38 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.465 HG11 HD13 ' A' ' 12' ' ' LEU . 4.9 t -53.98 -50.75 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 15.8 mt -55.07 -37.85 67.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.18 87.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.938 HD23 HD13 ' A' ' 63' ' ' LEU . 10.8 mp -56.47 -52.31 65.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.706 HD21 HG21 ' A' ' 68' ' ' VAL . 1.9 mt -73.62 -25.25 60.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.9 m -80.4 -69.55 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -20.06 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 4.2 mt-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.938 HD13 HD23 ' A' ' 45' ' ' LEU . 3.5 pp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.861 0.363 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.93 173.26 17.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.686 ' HB2' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -54.92 -34.12 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.5 -45.06 92.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.14 -54.02 36.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.706 HG21 HD21 ' A' ' 46' ' ' LEU . 58.4 t -57.56 -44.97 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.89 -24.85 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -66.67 -48.84 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.6 mm -72.73 -39.23 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.626 HG13 ' CB ' ' A' ' 11' ' ' LYS . 15.6 t -63.04 -41.09 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -72.19 -49.15 37.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.16 -39.36 92.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.3 m -67.43 -46.45 73.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -63.89 -51.23 65.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -61.62 -34.75 76.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -78.29 -24.46 46.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 tpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.9 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.7 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.12 -22.44 65.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.072 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -78.37 -41.93 31.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.467 HD23 HD13 ' A' ' 46' ' ' LEU . 10.4 tt -69.72 -40.35 76.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.732 HG22 ' HB2' ' A' ' 46' ' ' LEU . 95.0 t -70.38 -52.06 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 m -59.82 -41.2 90.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.5 t -69.4 -52.16 29.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.573 ' HA ' HG11 ' A' ' 72' ' ' VAL . 19.9 m -57.25 -41.64 80.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.85 -53.66 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -50.53 -52.35 39.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.591 ' HD3' HG13 ' A' ' 72' ' ' VAL . 1.5 tmpt? -65.87 -48.97 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.477 HD12 HD12 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -52.52 -44.35 65.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.58 -30.69 64.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -76.8 -18.48 58.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.665 ' CZ ' HG22 ' A' ' 75' ' ' THR . 7.4 m-85 -104.28 143.05 33.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -56.36 -179.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mt -57.91 -22.59 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.13 -51.39 18.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.506 ' OE2' HG21 ' A' ' 75' ' ' THR . 4.7 mp0 -61.73 -50.95 70.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.717 HD21 HG13 ' A' ' 39' ' ' ILE . 6.6 mp -59.05 -31.46 68.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.513 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.07 -51.32 55.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -59.21 -42.09 90.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.477 HD12 HD12 ' A' ' 12' ' ' LEU . 97.4 mt -63.79 -58.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.787 HD13 ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -61.19 -27.02 68.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.621 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.65 -46.95 70.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.426 HE22 HD11 ' A' ' 71' ' ' ILE . 18.2 mt-30 -69.99 -34.62 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.566 HD23 ' CA ' ' A' ' 63' ' ' LEU . 4.6 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.654 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.725 0.297 . . . . 0.0 110.867 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -71.71 -48.18 48.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -48.86 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.787 ' CD2' HD13 ' A' ' 24' ' ' LEU . 1.7 mt -63.18 -56.8 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.717 HG13 HD21 ' A' ' 20' ' ' LEU . 1.2 mt -51.42 -50.58 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.47 -31.87 71.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.83 -49.45 65.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.3 -56.65 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 7.7 mt -58.88 -35.13 72.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.61 -29.15 69.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.503 HD21 HG21 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -77.9 -44.45 27.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.732 ' HB2' HG22 ' A' ' 5' ' ' VAL . 9.4 mt -78.89 -11.9 60.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.0 m -107.5 -66.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -12.36 61.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.566 ' CA ' HD23 ' A' ' 27' ' ' LEU . 1.7 pp . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.926 0.393 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.57 -177.17 4.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -49.06 -28.85 4.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -60.97 -51.53 68.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.53 -50.79 65.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.076 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 72' ' ' VAL . 98.1 t -57.85 -47.29 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.16 -22.59 61.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -66.79 -48.78 67.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.426 HD11 HE22 ' A' ' 26' ' ' GLN . 11.7 mm -75.47 -39.97 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.591 HG13 ' HD3' ' A' ' 11' ' ' LYS . 78.0 t -62.44 -42.94 97.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -74.14 -48.73 27.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -52.03 67.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.665 HG22 ' CZ ' ' A' ' 15' ' ' PHE . 32.2 m -61.28 -50.49 72.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -60.64 -42.32 96.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -69.87 -27.91 65.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -77.53 -38.84 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 14.5 ttp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.847 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 76.7 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.4 -21.23 66.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -77.22 -43.94 31.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.554 ' CD2' HD13 ' A' ' 46' ' ' LEU . 5.4 tt -70.06 -41.58 73.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.22 -51.84 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 m -61.56 -40.3 94.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -70.13 -48.32 58.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 m -60.47 -41.2 93.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -54.6 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -51.35 -51.09 57.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.704 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -65.1 -53.3 47.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' CD1' HD12 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -51.36 -43.44 61.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.96 85.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -75.88 -17.67 59.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -95.64 136.47 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 171.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mt -51.02 -25.24 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -47.83 60.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.632 ' OE2' HD11 ' A' ' 23' ' ' ILE . 31.7 tp10 -54.72 -58.75 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.597 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.7 -29.69 70.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.714 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -60.07 -47.57 85.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -40.65 77.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.632 HD11 ' OE2' ' A' ' 19' ' ' GLU . 95.8 mt -62.19 -55.86 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.867 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -60.47 -40.69 92.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.479 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -55.5 -42.12 74.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -71.38 -40.51 70.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.133 HD22 HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' O ' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.736 0.303 . . . . 0.0 110.867 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -68.57 -46.24 69.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.33 -43.84 71.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.757 ' CD2' HD13 ' A' ' 24' ' ' LEU . 96.5 mt -65.15 -54.89 22.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.464 HG13 HD23 ' A' ' 12' ' ' LEU . 1.5 mp -50.93 -53.29 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.3 OUTLIER -61.07 -34.65 75.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.853 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.1 mmt-85 -65.85 -48.3 72.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 12' ' ' LEU . 42.5 t -53.98 -52.02 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 7.7 mt -59.52 -41.51 90.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.81 -26.08 68.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.133 HD11 HD22 ' A' ' 27' ' ' LEU . 42.7 mt -75.66 -52.08 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.971 HD21 HG21 ' A' ' 68' ' ' VAL . 3.5 mt -74.92 -9.88 58.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.0 m -107.54 -70.41 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -10.9 60.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.829 0.347 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.81 -179.88 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.475 ' HB2' HD11 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -51.51 -32.58 28.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.08 -49.23 78.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.68 -53.66 38.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.971 HG21 HD21 ' A' ' 46' ' ' LEU . 86.2 t -55.62 -45.8 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.5 -28.62 65.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -63.57 -50.64 68.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.1 mm -70.3 -51.88 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.704 HG13 ' HB3' ' A' ' 11' ' ' LYS . 56.3 t -52.71 -39.23 29.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -70.08 -44.53 68.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -39.99 82.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.7 -44.81 63.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -67.81 -29.24 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -53.25 8.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -62.05 -39.7 93.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.7 ttm . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.875 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.2 OUTLIER . . . . . 0 CA--C 1.526 0.037 0 CA-C-O 120.895 0.379 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.14 -34.01 68.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -79.05 -39.24 34.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -41.46 78.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 1' ' ' SER . 77.0 t -72.56 -50.4 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -59.99 -37.48 79.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.0 t -74.54 -52.7 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.8 m -58.44 -42.54 87.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -54.54 18.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -51.78 -45.48 63.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.631 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -70.35 -57.58 4.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.845 HD11 HD23 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -49.7 -42.18 45.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.82 -40.43 75.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -74.33 -13.66 60.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -100.76 138.48 37.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -56.77 -178.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.725 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.8 mt -52.29 -24.88 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -46.32 -50.17 16.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.766 ' HG3' HD12 ' A' ' 12' ' ' LEU . 8.0 tp10 -56.33 -53.9 51.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.845 HD23 HD11 ' A' ' 12' ' ' LEU . 2.7 mt -58.99 -34.59 72.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.538 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -59.76 -48.35 82.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -41.19 97.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.752 HG21 HG22 ' A' ' 42' ' ' VAL . 42.9 mm -65.6 -57.25 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.697 HD13 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -60.2 -26.87 66.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.622 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -70.25 -45.31 66.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -73.75 -27.39 61.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' HD12 ' A' ' 27' ' ' LEU . 9.7 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.703 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.733 0.302 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -70.38 -49.9 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -48.47 64.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.697 HD21 HD13 ' A' ' 24' ' ' LEU . 1.9 mt -61.31 -52.32 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 35' ' ' LYS . 1.2 mt -50.32 -49.85 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -32.98 74.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -44.1 69.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.752 HG22 HG21 ' A' ' 23' ' ' ILE . 62.0 t -60.05 -58.5 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 9.8 mt -57.69 -38.81 75.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.37 -25.44 65.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.066 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -78.9 -44.75 22.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.815 HD21 HG21 ' A' ' 68' ' ' VAL . 8.8 mt -80.12 -11.08 59.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.3 m -107.47 -64.83 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -11.13 60.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.891 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.43 -175.05 2.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -47.71 -32.99 6.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.19 -48.69 80.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.6 -49.69 70.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.815 HG21 HD21 ' A' ' 46' ' ' LEU . 41.2 t -56.06 -44.82 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.11 -25.89 61.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -66.74 -48.92 67.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.5 mm -73.43 -38.52 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.631 HG13 ' CB ' ' A' ' 11' ' ' LYS . 41.9 t -64.36 -40.19 88.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -72.53 -48.6 39.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.13 -42.18 99.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.1 m -69.69 -39.69 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -70.77 -43.06 69.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -70.74 -30.21 66.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -40.93 47.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.5 ttm . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.878 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.889 0.376 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.48 -30.42 53.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.83 -41.26 44.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.65 -42.5 74.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.9 t -67.8 -51.31 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -60.61 -40.54 92.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.2 t -71.23 -54.0 12.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 54.9 m -58.35 -39.84 80.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -53.1 49.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -49.89 -52.03 36.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.552 ' CB ' HG13 ' A' ' 72' ' ' VAL . 4.2 mttm -68.48 -42.57 78.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.492 ' CD1' HD22 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -56.17 -43.11 78.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.87 -41.85 70.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -74.02 -13.29 60.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.494 ' CE1' HG22 ' A' ' 75' ' ' THR . 7.1 m-85 -100.82 133.62 45.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -60.32 -169.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.636 HG23 HD13 ' A' ' 38' ' ' LEU . 1.8 mt -62.81 -24.12 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -48.61 -48.65 39.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.403 ' OE1' HD23 ' A' ' 20' ' ' LEU . 11.5 tm-20 -66.83 -53.33 33.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.578 ' O ' HD13 ' A' ' 24' ' ' LEU . 2.1 mt -51.13 -53.88 30.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.03 -39.88 91.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.62 -52.33 55.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.746 HG22 ' CD1' ' A' ' 27' ' ' LEU . 20.8 mm -69.27 -34.37 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.589 ' CD2' HD23 ' A' ' 38' ' ' LEU . 6.0 mp -62.55 -58.84 6.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -57.09 -38.66 73.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -75.36 -19.88 59.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.746 ' CD1' HG22 ' A' ' 23' ' ' ILE . 10.6 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.586 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.733 0.301 . . . . 0.0 110.871 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -72.81 -47.55 45.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -48.51 81.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.636 HD13 HG23 ' A' ' 17' ' ' ILE . 1.3 mt -60.22 -58.17 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -52.87 -50.18 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -62.56 -28.36 69.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -66.94 -50.89 60.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.31 -54.17 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.468 HD21 HD22 ' A' ' 12' ' ' LEU . 26.3 mt -58.31 -36.42 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.71 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.458 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.21 -44.33 30.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.054 HD21 HG21 ' A' ' 68' ' ' VAL . 12.6 mt -78.43 -12.26 60.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.1 m -106.24 -67.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.73 -12.95 61.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.613 ' CA ' HD23 ' A' ' 27' ' ' LEU . 3.6 pp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.95 0.405 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.04 -178.17 4.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.0 -37.25 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -61.33 -41.72 97.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.6 -50.06 68.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.054 HG21 HD21 ' A' ' 46' ' ' LEU . 24.7 t -55.32 -47.58 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.01 -24.09 60.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -66.35 -49.11 68.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.584 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.0 mm -74.39 -40.59 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.552 HG13 ' CB ' ' A' ' 11' ' ' LYS . 43.9 t -61.22 -41.84 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -72.45 -48.49 40.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.11 -43.55 98.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.494 HG22 ' CE1' ' A' ' 15' ' ' PHE . 62.7 m -66.79 -43.36 84.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -67.09 -53.37 31.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -56.88 -36.13 69.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -80.79 -24.9 38.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.526 0.048 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.21 -21.68 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -77.65 -43.63 30.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 65' ' ' LYS . 10.1 tt -69.93 -41.2 74.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.1 t -68.67 -51.14 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -61.56 -38.1 86.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.4 p -72.71 -52.76 13.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.401 ' HA ' HG11 ' A' ' 72' ' ' VAL . 52.3 m -60.14 -40.02 88.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HB2' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.27 -54.05 24.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -50.93 -47.01 61.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.552 ' HB3' HG13 ' A' ' 72' ' ' VAL . 1.0 OUTLIER -70.13 -52.48 23.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.558 HD23 HG12 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -51.6 -42.81 62.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.42 -43.89 72.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -70.65 -14.52 62.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.543 ' CE1' ' HE2' ' A' ' 79' ' ' MET . 12.1 m-85 -100.98 136.51 40.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -53.93 176.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 mt -52.02 -24.37 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.02 -50.85 14.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.492 ' OE1' HG22 ' A' ' 72' ' ' VAL . 2.6 mm-40 -57.48 -55.54 33.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.897 ' O ' HD22 ' A' ' 24' ' ' LEU . 2.2 mp -54.29 -53.61 51.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -45.47 20.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.79 -43.58 90.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 68' ' ' VAL . 32.3 mm -56.97 -53.09 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.897 HD22 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -62.51 -50.19 72.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -47.46 -34.88 7.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.437 ' OE1' HD11 ' A' ' 71' ' ' ILE . 20.6 mt-30 -77.0 -37.13 55.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.837 HD23 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.687 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.768 0.318 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -55.39 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -46.21 79.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 35' ' ' LYS . 4.2 mt -58.64 -52.55 65.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.771 HG13 HD21 ' A' ' 20' ' ' LEU . 1.1 mt -51.23 -50.25 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -58.92 -34.63 71.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -45.44 77.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.407 HG11 HD13 ' A' ' 12' ' ' LEU . 54.7 t -57.79 -54.96 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 9' ' ' LYS . 11.5 mt -58.38 -37.47 75.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.83 -26.45 66.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -78.61 -43.87 25.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.004 HD11 HG11 ' A' ' 68' ' ' VAL . 10.0 mt -80.13 -11.53 59.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.6 m -106.68 -64.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -11.83 60.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.542 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.6 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.905 0.383 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.78 -175.8 5.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.676 ' HB2' HD11 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -48.42 -31.07 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -58.89 -49.85 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.03 -51.48 54.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.076 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.004 HG11 HD11 ' A' ' 46' ' ' LEU . 88.7 t -55.42 -47.15 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.5 -27.23 63.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -63.53 -51.05 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.437 HD11 ' OE1' ' A' ' 26' ' ' GLN . 15.3 mm -70.87 -52.06 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' A' ' 11' ' ' LYS . 71.1 t -51.82 -40.53 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.53 -45.88 67.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.49 -52.51 65.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -43.07 98.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -65.85 -32.5 74.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -52.64 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -60.91 -45.02 96.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.543 ' HE2' ' CE1' ' A' ' 15' ' ' PHE . 1.3 tmm? . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.876 0.369 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.17 -31.88 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.33 -39.15 40.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tt -68.91 -39.8 79.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -72.68 -51.82 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -58.96 -42.0 88.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 97.4 p -68.47 -54.73 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 m -52.66 -39.35 61.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -49.15 65.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -54.36 28.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.803 ' HG3' HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -65.06 -47.62 76.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.706 ' CD1' HG21 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -54.88 -41.73 71.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.5 -41.09 80.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -69.0 -20.49 64.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.447 ' CZ ' HG22 ' A' ' 75' ' ' THR . 0.8 OUTLIER -95.44 132.6 40.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -54.35 176.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.618 HG23 HD12 ' A' ' 38' ' ' LEU . 3.7 mt -55.14 -23.47 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.09 -49.27 42.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.683 ' CG ' HG22 ' A' ' 72' ' ' VAL . 10.6 tp10 -63.26 -58.78 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.481 ' CD2' HD21 ' A' ' 12' ' ' LEU . 2.9 mp -54.4 -30.62 52.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' HD23 ' A' ' 24' ' ' LEU . 7.8 tptm -68.12 -56.04 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -54.31 -42.18 69.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.783 HD11 ' HB ' ' A' ' 71' ' ' ILE . 29.6 mm -64.4 -50.03 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.558 HD23 ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -66.69 -26.25 66.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.558 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -76.6 -37.95 55.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -78.78 -29.41 44.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 63' ' ' LEU . 16.6 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.712 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.684 0.278 . . . . 0.0 110.838 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -51.31 53.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.05 -48.9 75.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.618 HD12 HG23 ' A' ' 17' ' ' ILE . 20.1 mt -56.78 -53.97 51.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -50.87 -54.8 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.438 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.8 OUTLIER -60.55 -28.72 68.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -52.55 55.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.828 ' HA ' HD12 ' A' ' 45' ' ' LEU . 19.2 t -57.72 -52.9 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 11.1 mt -56.1 -38.66 71.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.67 71.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.828 HD12 ' HA ' ' A' ' 42' ' ' VAL . 6.9 mt -75.24 -49.78 18.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.642 HD22 ' HA ' ' A' ' 65' ' ' LYS . 2.9 mt -73.39 -12.31 60.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.0 m -106.14 -72.66 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.25 -14.21 60.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.687 ' HA ' HD23 ' A' ' 27' ' ' LEU . 2.6 pp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.867 0.365 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -131.55 -179.65 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.642 ' HA ' HD22 ' A' ' 46' ' ' LEU . 3.7 pttt -51.02 -40.16 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -42.5 94.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.2 -51.31 61.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.753 ' HA ' HD12 ' A' ' 23' ' ' ILE . 24.7 t -52.84 -51.0 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.14 -25.46 62.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -49.95 70.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.783 ' HB ' HD11 ' A' ' 23' ' ' ILE . 17.1 mm -67.71 -53.45 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.803 HG11 ' HG3' ' A' ' 11' ' ' LYS . 23.3 t -56.07 -35.0 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.1 -49.76 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.08 -40.07 90.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.447 HG22 ' CZ ' ' A' ' 15' ' ' PHE . 5.7 m -61.63 -48.25 81.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.41 ' HA ' ' HB3' ' A' ' 79' ' ' MET . 0.0 OUTLIER -67.83 -42.89 80.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -49.34 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.42 -25.91 41.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.41 ' HB3' ' HA ' ' A' ' 76' ' ' TYR . 7.1 ttp . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . 0.583 ' O ' HG23 ' A' ' 5' ' ' VAL . 4.9 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.88 0.371 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.46 -25.41 65.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.053 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -75.55 -44.35 43.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.966 HD23 HD13 ' A' ' 46' ' ' LEU . 2.9 tp -70.19 -39.94 74.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 1.01 HG22 HD11 ' A' ' 46' ' ' LEU . 98.1 t -67.49 -51.36 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -63.75 -36.65 84.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.2 m -72.98 -52.75 13.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 55.7 m -60.3 -43.63 96.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -54.41 24.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -51.25 -47.55 62.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -68.97 -59.49 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' CD1' HD12 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -47.81 -42.71 26.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.52 -41.72 79.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -71.59 -16.64 62.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -95.51 134.12 38.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -53.0 173.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.4 ' HA ' HD13 ' A' ' 20' ' ' LEU . 1.5 mt -49.88 -25.48 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -50.22 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.451 ' OE1' HG22 ' A' ' 71' ' ' ILE . 42.8 tp10 -56.94 -55.2 37.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.649 ' HB3' HD13 ' A' ' 38' ' ' LEU . 4.9 mp -59.97 -30.9 69.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.515 ' O ' HD23 ' A' ' 24' ' ' LEU . 1.3 tptt -64.36 -47.71 78.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -62.73 -41.04 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.705 HG22 HD11 ' A' ' 27' ' ' LEU . 65.2 mt -64.99 -57.59 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.988 HD13 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -59.54 -28.25 66.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.585 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -70.14 -42.22 72.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -78.82 -19.89 51.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.705 HD11 HG22 ' A' ' 23' ' ' ILE . 18.5 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.676 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.711 0.291 . . . . 0.0 110.942 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -70.6 -52.21 23.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.16 -45.19 61.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.988 HD21 HD13 ' A' ' 24' ' ' LEU . 72.8 mt -63.54 -54.93 28.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -51.4 -55.1 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' HG22 ' A' ' 39' ' ' ILE . 1.1 t0 -59.67 -31.93 70.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -50.33 65.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.481 HG13 HG11 ' A' ' 68' ' ' VAL . 38.3 t -55.84 -54.21 29.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.592 ' HA ' HD23 ' A' ' 46' ' ' LEU . 6.7 mt -61.93 -30.25 70.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.23 -53.43 55.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.102 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 6.4 mp -69.51 -41.46 76.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.01 HD11 HG22 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -68.1 -23.35 64.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.4 m -103.26 -76.2 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.36 -23.89 6.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 1.4 mt-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.483 ' CB ' HD23 ' A' ' 27' ' ' LEU . 2.0 pp . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.896 0.379 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -118.94 178.85 4.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -32.81 32.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.39 -42.64 87.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.9 -53.38 47.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.693 HG13 HD13 ' A' ' 23' ' ' ILE . 54.1 t -55.93 -46.35 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.94 -28.41 65.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -50.68 67.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.451 HG22 ' OE1' ' A' ' 19' ' ' GLU . 20.1 mm -66.98 -51.94 49.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.479 HG13 ' HB3' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -52.95 -42.1 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -65.48 -43.66 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.12 -37.19 81.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -43.9 77.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -52.91 42.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -59.1 -38.67 80.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -21.03 44.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.1 25.97 10.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.868 0.366 . . . . 0.0 110.855 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 61.42 47.83 6.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 13.5 mtm -145.28 83.42 1.67 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . 0.574 ' HB2' ' CD2' ' A' ' 92' ' ' HIS . . . -114.26 -12.29 12.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 p -49.95 -54.5 19.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.71 -21.47 66.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.054 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -78.52 -42.68 28.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 65' ' ' LYS . 7.8 tt -69.79 -40.52 75.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.0 t -70.22 -50.86 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -61.51 -37.64 84.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.5 m -73.11 -52.56 13.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.8 m -60.03 -41.33 92.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.41 -53.73 26.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.35 -48.6 55.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.552 ' HB3' HG13 ' A' ' 72' ' ' VAL . 6.3 mptt -68.95 -55.55 10.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -48.89 -42.43 36.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.35 -43.72 73.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -71.37 -13.79 61.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -98.95 135.29 40.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mtp180 -52.29 173.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt -50.07 -25.52 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.55 -49.31 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.658 ' OE1' HD11 ' A' ' 23' ' ' ILE . 2.2 tm-20 -54.03 -55.12 30.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.765 HD22 ' HB2' ' A' ' 38' ' ' LEU . 1.2 mp -62.28 -32.19 72.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.541 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -59.53 -51.76 68.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.537 ' HB3' HG21 ' A' ' 71' ' ' ILE . 0.1 OUTLIER -63.45 -41.12 98.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 179.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.658 HD11 ' OE1' ' A' ' 19' ' ' GLU . 42.9 mt -63.49 -57.98 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.707 HD13 ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -61.86 -27.08 68.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.595 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -67.34 -46.83 72.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -70.92 -32.8 69.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.66 HD23 ' CB ' ' A' ' 63' ' ' LEU . 4.2 mt -67.43 -33.18 74.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.07 27.23 6.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.424 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 24' ' ' LEU . 20.2 mt -82.38 159.87 63.54 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.572 0.701 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 166.29 28.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 tmpt? -62.55 -24.26 67.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -173.12 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.923 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.13 91.65 2.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.459 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -58.41 174.38 0.31 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.687 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -51.61 -38.72 55.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -70.55 -50.77 34.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.93 -48.71 67.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.765 ' HB2' HD22 ' A' ' 20' ' ' LEU . 5.3 mt -61.46 -54.22 46.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.759 HG13 HD21 ' A' ' 20' ' ' LEU . 1.3 mt -50.54 -50.2 22.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -31.41 71.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.86 -47.73 65.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 12' ' ' LEU . 53.1 t -58.57 -57.58 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 13.1 mt -56.7 -42.29 78.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.02 -21.61 65.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.088 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.487 HD22 HD21 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -80.81 -42.53 21.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.847 HD21 HG21 ' A' ' 68' ' ' VAL . 5.6 mt -86.27 -6.76 58.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.8 m -110.34 -53.23 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.145 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.01 -7.64 53.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -133.42 21.35 3.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.486 ' NE2' ' H ' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -47.08 -27.95 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 -179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.486 ' H ' ' NE2' ' A' ' 50' ' ' GLN . . . 51.78 27.25 19.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.464 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -59.79 -24.82 64.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 0.0 110.916 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -118.23 22.28 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -146.55 56.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.0 p-80 -102.08 172.51 6.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.18 43.17 0.44 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.726 ' CH2' HG21 ' A' ' 64' ' ' THR . 0.0 OUTLIER -115.7 -75.61 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 0.0 110.867 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.15 -48.88 4.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.78 19.09 9.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.386 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -157.86 25.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.445 ' C ' ' ND2' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -84.49 6.03 25.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.8 m -66.19 -8.94 27.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.66 ' CB ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -118.09 26.51 9.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.726 HG21 ' CH2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -118.13 -179.86 3.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.135 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.803 ' HB3' HD11 ' A' ' 4' ' ' LEU . 1.7 mtmp? -53.14 -39.42 63.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -54.56 -45.18 73.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.56 -54.3 25.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.847 HG21 HD21 ' A' ' 46' ' ' LEU . 93.2 t -54.37 -44.3 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.29 73.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -62.1 -50.01 73.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.631 HG22 ' OE2' ' A' ' 19' ' ' GLU . 23.4 mm -65.93 -52.64 46.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' A' ' 11' ' ' LYS . 76.6 t -52.02 -40.85 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.13 -46.05 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -60.61 -34.77 74.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -39.14 70.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -67.48 -52.28 41.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -62.61 -36.11 81.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -78.93 -24.26 44.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.8 ttp -69.86 -57.02 5.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -149.11 13.66 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.428 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 17.2 mt 69.23 -70.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 53.43 -174.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.402 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 4.0 t -100.52 48.5 0.91 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 83' ' ' CYS . . . 66.52 136.1 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.565 0.698 . . . . 0.0 111.118 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -3.77 12.65 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.665 2.243 . . . . 0.0 112.379 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 32.8 t0 66.01 34.0 7.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.5 tt -49.93 -43.08 49.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -179.47 -34.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.9 m 64.68 23.91 12.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.25 23.83 7.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.9 m -99.33 56.58 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.574 ' CD2' ' HB2' ' A' ' -1' ' ' ALA . 23.6 m80 -148.65 -75.16 0.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.872 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.01 129.35 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.97 105.26 2.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -150.97 14.83 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.814 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.71 -6.19 7.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.83 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.73 13.26 28.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.4 m -91.88 -170.07 2.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.814 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 62.26 44.78 7.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.37 157.03 1.29 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.619 0.723 . . . . 0.0 110.835 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -171.69 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.673 2.249 . . . . 0.0 112.334 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -119.51 34.8 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 62.83 26.1 15.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 52.21 34.09 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 29.9 t -65.57 -73.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.959 0.409 . . . . 0.0 110.875 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -151.63 45.99 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.81 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 27.9 mtm -146.08 83.78 1.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -116.29 -10.8 11.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 p -50.01 -54.91 17.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.1 -21.35 66.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.7 -42.17 29.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.0 tt -70.0 -40.05 75.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.651 HG22 ' HB2' ' A' ' 46' ' ' LEU . 96.1 t -70.97 -52.06 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -59.75 -40.99 89.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.8 m -69.68 -47.3 63.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.8 m -60.66 -40.15 91.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -54.63 22.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -51.1 -48.97 61.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.582 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -67.85 -54.01 22.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.487 HD21 HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -50.17 -43.78 52.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.44 -38.22 77.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -73.07 -17.56 61.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -99.27 135.63 40.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -52.88 173.78 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.838 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mt -50.01 -25.85 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.14 -49.96 30.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -54.59 -54.64 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.663 ' HB3' HD13 ' A' ' 38' ' ' LEU . 1.8 mp -62.14 -32.01 72.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.584 ' O ' HD23 ' A' ' 24' ' ' LEU . 1.2 tttp -60.0 -48.88 79.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.84 -38.15 82.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.637 HG22 HD12 ' A' ' 27' ' ' LEU . 58.3 mt -65.14 -54.11 33.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.991 HD13 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -63.94 -33.06 74.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.542 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -64.56 -42.47 95.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -77.22 -31.61 55.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.637 HD12 HG22 ' A' ' 23' ' ' ILE . 6.1 mt -67.41 -33.09 74.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.09 43.03 3.9 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.42 HD23 ' HB3' ' A' ' 27' ' ' LEU . 4.6 mm? -114.81 67.26 1.92 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.622 0.725 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.415 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 53.9 Cg_endo -69.75 -160.52 0.07 OUTLIER 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.309 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 9.2 mtmt 77.4 -57.01 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -162.79 -169.67 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.22 70.63 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.422 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.97 172.39 6.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.696 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -52.94 -45.0 67.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.877 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -71.44 -52.09 20.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.11 -46.47 65.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.827 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.991 HD21 HD13 ' A' ' 24' ' ' LEU . 70.9 mt -64.27 -55.54 20.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.93 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.696 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -51.28 -55.07 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -61.3 -30.33 70.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -69.13 -49.0 60.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.416 HG21 HD13 ' A' ' 12' ' ' LEU . 50.8 t -58.27 -55.71 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 7.9 mt -59.01 -37.95 78.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.05 -26.1 66.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -79.12 -44.55 21.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.651 ' HB2' HG22 ' A' ' 5' ' ' VAL . 8.0 mt -80.9 -10.09 59.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.0 m -108.86 -63.55 1.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.51 -10.43 59.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -131.72 23.43 4.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.925 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.41 -20.93 21.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.25 48.25 76.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.455 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -94.82 37.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -139.81 -38.35 0.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 46.4 t-80 -174.64 56.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -76.22 -170.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 124.64 30.45 0.97 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.504 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.93 -23.54 9.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.771 0.319 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.59 45.17 2.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.16 -26.66 47.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 175.64 65.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.407 HD22 ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -126.15 -4.49 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.668 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 1.1 m 50.9 45.59 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.517 ' CA ' HD23 ' A' ' 27' ' ' LEU . 4.2 pp -151.52 20.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.436 HG22 ' H ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -129.76 -177.6 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.436 ' H ' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -48.66 -32.18 7.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -48.01 82.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.668 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -64.1 -50.85 66.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.1 t -56.71 -45.94 82.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.153 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.26 -24.61 61.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -66.84 -49.42 65.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.9 mm -73.46 -39.02 54.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.112 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.582 HG13 ' CB ' ' A' ' 11' ' ' LYS . 13.8 t -64.84 -39.13 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.43 ' OD2' HD22 ' A' ' 87' ' ' LEU . 54.9 m-20 -72.59 -48.89 36.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -63.75 -37.56 87.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 98.5 m -75.04 -35.51 61.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -75.25 -34.93 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -78.78 -34.78 45.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.79 -34.91 52.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.7 ttm -78.77 -47.8 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.841 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.17 -43.73 32.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.934 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.452 HG22 ' O ' ' A' ' 81' ' ' ILE . 6.4 mt 64.53 24.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -73.04 -169.48 0.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 31.2 m -83.44 55.53 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 83' ' ' CYS . . . 66.56 127.19 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.597 0.713 . . . . 0.0 111.082 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -2.93 11.01 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.648 2.232 . . . . 0.0 112.348 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 29.0 t0 69.09 55.73 0.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.868 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.46 HD11 ' HG2' ' A' ' 90' ' ' ARG . 43.4 tp -66.69 -10.89 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 67.21 25.1 9.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.4 m 62.91 16.68 9.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.46 ' HG2' HD11 ' A' ' 87' ' ' LEU . 0.0 OUTLIER 54.26 25.71 6.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.874 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.4 m -92.45 43.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -117.19 -26.68 6.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.82 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.1 p -178.94 64.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 114.86 119.48 3.33 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.528 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.5 p -118.88 7.44 11.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.878 0.371 . . . . 0.0 110.833 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.84 24.04 3.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.8 t80 61.89 19.8 10.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 m 62.88 51.02 3.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -98.81 54.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -50.61 160.5 0.75 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.613 0.72 . . . . 0.0 110.901 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -171.27 0.45 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.349 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.32 32.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 51.37 38.89 22.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.98 84.79 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.075 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 1.2 t -176.34 -59.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.87 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -146.27 95.72 2.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . 0.4 ' O ' ' HB3' ' A' ' -1' ' ' ALA . 21.8 mtm -131.8 -77.96 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' -2' ' ' MET . . . 66.33 13.51 9.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m -58.73 -57.08 14.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.4 -21.83 64.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.095 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.66 -42.22 35.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.402 HD11 ' HB2' ' A' ' 65' ' ' LYS . 2.1 tt -70.08 -40.39 75.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 99.6 t -70.07 -52.15 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 t -60.09 -42.3 94.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.1 m -68.41 -42.05 79.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 m -62.44 -44.01 97.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.594 ' HD2' HD11 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -64.14 -55.47 21.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -50.97 -51.71 49.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.888 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.495 ' HG2' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -64.4 -52.67 57.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.004 HD21 HD21 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -51.19 -43.98 61.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.887 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.49 -34.69 76.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.108 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -80.18 -12.98 59.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.409 ' HE2' HG13 ' A' ' 72' ' ' VAL . 17.1 m-85 -97.93 5.88 48.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? 64.25 -167.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.777 ' HA ' HD12 ' A' ' 20' ' ' LEU . 3.2 mt -64.53 -24.65 36.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -49.53 18.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.47 -53.64 55.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.901 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.004 HD21 HD21 ' A' ' 12' ' ' LEU . 2.0 mt -57.96 -39.83 79.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -46.01 82.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -42.17 99.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.591 ' O ' HD12 ' A' ' 27' ' ' LEU . 43.6 mm -62.49 -57.36 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.456 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -58.68 -32.83 69.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.4 -43.75 93.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -68.47 -38.17 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.591 HD12 ' O ' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -67.61 -33.29 74.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.01 39.78 6.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 mp -129.6 59.78 47.01 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.581 0.705 . . . . 0.0 110.917 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 77.12 1.06 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.738 2.292 . . . . 0.0 112.362 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -177.11 55.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.69 -173.91 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.407 ' H ' ' HB3' ' A' ' 37' ' ' ASP . . . -100.47 -124.2 5.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.48 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.94 -173.02 2.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.876 0.37 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.732 ' HG3' HD12 ' A' ' 39' ' ' ILE . 4.8 tppp? -48.12 -31.82 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -71.18 -52.12 20.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.407 ' HB3' ' H ' ' A' ' 33' ' ' GLY . 0.2 OUTLIER -57.08 -49.26 76.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.474 ' CB ' HD22 ' A' ' 20' ' ' LEU . 7.2 mt -59.68 -54.76 42.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.953 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.732 HD12 ' HG3' ' A' ' 35' ' ' LYS . 2.1 mt -51.04 -51.41 21.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -58.07 -32.51 68.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.15 -52.28 49.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.794 ' HA ' HD12 ' A' ' 45' ' ' LEU . 33.4 t -53.71 -53.77 23.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.594 HD11 ' HD2' ' A' ' 9' ' ' LYS . 7.4 mt -60.31 -36.04 76.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.43 -29.99 71.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.116 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.794 HD12 ' HA ' ' A' ' 42' ' ' VAL . 4.7 mt -75.89 -49.94 16.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.738 HD21 HG21 ' A' ' 68' ' ' VAL . 3.0 mt -74.89 -10.05 59.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.9 m -108.25 -70.49 0.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -12.44 61.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.813 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.06 23.94 5.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -16.48 25.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -94.79 30.18 8.27 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.423 ' HB2' HG23 ' A' ' 64' ' ' THR . 2.3 mm100 -93.86 21.71 6.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -82.78 -10.35 58.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -70.47 153.09 43.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -51.95 164.23 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.08 47.16 0.9 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.81 -72.02 0.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.907 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.98 -48.36 3.65 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -94.81 33.48 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 61' ' ' ASN . 1.7 ttpm? 66.31 35.39 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.946 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.471 ' C ' ' O ' ' A' ' 60' ' ' LYS . 0.6 OUTLIER 32.85 51.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.685 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 72.5 m -77.72 45.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.44 ' H ' HD12 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -151.55 17.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.915 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.423 HG23 ' HB2' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -122.84 -178.84 4.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.132 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.608 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -49.72 -33.62 16.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.67 -47.73 82.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.685 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -62.23 -52.78 62.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.738 HG21 HD21 ' A' ' 46' ' ' LEU . 40.9 t -54.94 -43.14 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.122 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.75 -30.07 67.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.3 ttpt -65.1 -47.9 75.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.9 mm -70.3 -39.78 77.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.122 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.495 HG13 ' HG2' ' A' ' 11' ' ' LYS . 14.2 t -61.37 -41.25 89.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -70.84 -49.62 44.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.04 -41.51 98.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.8 m -63.27 -47.46 82.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.88 -50.54 66.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.408 ' HA ' ' HA ' ' A' ' 81' ' ' ILE . 0.3 OUTLIER -54.61 -42.71 71.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.836 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.1 mmtm -77.25 -25.7 51.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 44.6 ttm -64.66 -57.53 8.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.24 24.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 6.0 mt 48.12 30.55 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.155 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -86.53 167.59 14.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 68.16 -78.13 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 49.33 66.32 5.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.56 0.695 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -7.65 21.59 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.679 2.252 . . . . 0.0 112.36 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 t70 64.19 74.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.1 tp -54.4 -24.03 18.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 64.65 24.72 13.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.1 m 58.67 21.8 9.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.04 24.03 7.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 m -97.91 88.22 4.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -174.11 32.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -176.67 144.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.837 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -100.36 -113.49 3.56 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.16 11.34 8.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.355 . . . . 0.0 110.846 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -120.63 -2.26 9.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.61 8.99 35.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 m -167.06 43.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.883 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -72.82 78.32 1.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -50.6 136.15 25.21 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.617 0.722 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -171.99 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.683 2.256 . . . . 0.0 112.341 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.07 34.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.139 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -51.27 -31.25 20.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 59.96 37.5 21.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 8.5 p -52.14 -74.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 44.5 m-70 -96.12 43.38 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.851 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 10.3 mmt -151.75 89.11 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . 0.405 ' O ' ' CB ' ' A' ' 1' ' ' SER . . . -87.83 18.02 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.3 OUTLIER 77.07 -6.9 1.94 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.23 -34.39 65.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.063 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -80.06 -37.51 33.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 tp -69.23 -41.62 76.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 1' ' ' SER . 79.3 t -72.53 -50.91 31.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.17 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.5 t -59.5 -39.62 84.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.2 p -72.06 -51.74 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.3 m -58.94 -40.55 84.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' HB2' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -65.83 -54.72 23.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -51.64 -46.81 63.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HD3' HG12 ' A' ' 72' ' ' VAL . 70.8 mttt -68.77 -55.75 10.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.93 HD21 HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -50.8 -41.64 57.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.35 -41.92 80.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -76.1 -11.57 59.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.937 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -98.3 135.77 39.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -56.37 -179.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mt -53.43 -23.88 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.71 -49.94 18.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.687 ' OE1' HG21 ' A' ' 75' ' ' THR . 0.2 OUTLIER -56.12 -56.89 15.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.902 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.93 HD11 HD21 ' A' ' 12' ' ' LEU . 4.0 mm? -57.8 -33.52 68.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.556 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.93 -48.06 83.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' CB ' HG21 ' A' ' 71' ' ' ILE . 1.3 m-20 -62.88 -41.4 99.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.872 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.825 HG21 HG22 ' A' ' 42' ' ' VAL . 36.6 mm -65.92 -57.5 10.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.638 HD23 ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -60.14 -26.39 66.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.904 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.638 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -70.72 -47.76 58.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -69.78 -27.53 64.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' HD12 ' A' ' 27' ' ' LEU . 9.7 tp -69.55 -10.94 60.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.591 ' C ' HD12 ' A' ' 29' ' ' LEU . . . 109.04 11.35 22.58 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.591 HD12 ' C ' ' A' ' 28' ' ' GLY . 0.3 OUTLIER 54.71 95.59 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.643 0.735 . . . . 0.0 110.9 -179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 159.58 52.88 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -47.21 -34.04 5.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -164.18 -175.15 3.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.65 97.78 0.28 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.25 -174.94 1.73 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.861 0.363 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.75 -44.44 58.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -71.43 -52.05 20.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -47.91 63.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.639 ' HB3' HD12 ' A' ' 20' ' ' LEU . 4.9 mt -62.12 -51.77 66.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.956 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.623 HG12 HD23 ' A' ' 12' ' ' LEU . 4.7 mt -50.72 -51.56 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.29 -34.61 76.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -65.94 -44.37 85.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.825 HG22 HG21 ' A' ' 23' ' ' ILE . 43.4 t -61.07 -58.04 9.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 13.3 mt -53.24 -40.3 64.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.06 -27.85 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.468 ' HG ' HD23 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.91 -43.71 29.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.965 HD11 HG11 ' A' ' 68' ' ' VAL . 14.1 mt -78.52 -14.15 59.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.4 m -104.22 -67.15 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.22 -13.06 61.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -131.73 26.37 4.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.81 -24.3 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.67 45.61 74.85 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -55.39 -24.75 31.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.826 0.346 . . . . 0.0 110.955 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -172.52 68.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.44 -42.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -146.42 72.75 1.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -123.47 64.96 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.514 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.507 ' HZ3' HD11 ' A' ' 63' ' ' LEU . 0.0 OUTLIER -118.53 -69.97 0.82 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.796 0.331 . . . . 0.0 110.932 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.19 -36.04 3.81 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.517 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -86.47 11.2 13.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.888 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.52 -36.4 13.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.504 ' ND2' ' N ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -159.63 20.34 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.688 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 4.1 p 45.07 43.72 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.507 HD11 ' HZ3' ' A' ' 57' ' ' TRP . 1.1 pp -126.71 7.45 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 65' ' ' LYS . 0.2 OUTLIER -106.59 179.7 4.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.516 ' HA ' HD22 ' A' ' 46' ' ' LEU . 36.9 pttt -51.63 -46.11 63.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.91 -41.23 61.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.688 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -67.53 -54.12 22.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.052 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.965 HG11 HD11 ' A' ' 46' ' ' LEU . 94.9 t -53.59 -47.22 60.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.71 -28.95 66.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.116 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -64.08 -51.45 63.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.406 HG21 ' CB ' ' A' ' 22' ' ' ASP . 17.3 mm -66.9 -53.32 35.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 68' ' ' VAL . 71.5 t -53.9 -39.58 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -63.97 -49.18 73.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -57.53 -43.02 84.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.687 HG21 ' OE1' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -60.73 -52.02 66.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 -179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -63.12 -46.42 87.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.76 -42.45 68.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -79.06 -26.02 43.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.7 ttm -64.09 -57.09 10.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.42 25.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.417 HG22 ' O ' ' A' ' 81' ' ' ILE . 6.0 mt 48.55 29.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.57 153.21 21.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 51.17 43.17 29.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -111.52 73.83 1.12 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -6.07 17.68 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.376 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 22.4 t0 67.57 82.34 0.18 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.69 -24.86 6.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 66.42 31.83 7.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m 53.2 28.04 6.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.78 22.61 10.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 56.9 m -94.46 90.74 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.26 36.23 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.823 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.98 79.99 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -110.57 -98.75 2.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.477 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.1 p -179.54 28.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.904 0.383 . . . . 0.0 110.892 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 -125.8 -5.24 6.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.22 12.72 33.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -99.68 80.23 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.2 t80 51.98 49.22 21.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.13 108.01 0.88 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.639 0.733 . . . . 0.0 110.859 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 95.09 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.27 32.65 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 51.57 38.96 23.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.36 84.63 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -168.49 -44.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.9 0.381 . . . . 0.0 110.846 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . 0.643 ' HA ' ' HB3' ' A' ' 2' ' ' ALA . 0.2 OUTLIER -176.53 93.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 61.3 mtm -151.84 62.22 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . 0.409 ' HB2' ' HB2' ' A' ' 93' ' ' SER . . . 47.64 42.74 15.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.525 ' O ' HG23 ' A' ' 5' ' ' VAL . 4.2 t 178.4 -29.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' A' ' -3' ' ' HIS . . . -66.89 -25.73 66.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.083 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -76.92 -43.13 36.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.589 HD23 HD13 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -69.95 -39.84 75.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.829 HG22 ' HB2' ' A' ' 46' ' ' LEU . 90.8 t -70.13 -52.11 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.109 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -60.42 -40.42 90.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.1 t -69.77 -48.22 60.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 m -60.35 -42.0 94.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -54.17 35.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -50.87 -50.26 57.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.595 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -66.98 -55.96 12.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.712 HD13 HG21 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -49.01 -42.76 39.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.42 -39.39 77.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.136 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -76.19 -11.78 59.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -102.07 135.22 44.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -52.27 173.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.497 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -50.99 -24.91 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.144 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.08 -51.1 18.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.428 ' OE1' HG22 ' A' ' 71' ' ' ILE . 29.6 tp10 -56.07 -54.52 44.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.666 ' CB ' HD13 ' A' ' 38' ' ' LEU . 1.1 mp -60.49 -31.35 70.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.569 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -61.08 -48.1 83.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.639 ' HB3' HG21 ' A' ' 71' ' ' ILE . 0.2 OUTLIER -64.59 -42.07 95.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.834 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 68' ' ' VAL . 46.3 mm -63.32 -57.54 11.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.027 HD13 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -59.51 -32.14 70.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.585 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -63.23 -43.62 97.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -70.49 -34.75 72.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.842 HD23 ' HA ' ' A' ' 24' ' ' LEU . 0.1 OUTLIER -67.84 -18.76 64.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.54 4.58 32.34 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.76 HD23 HD11 ' A' ' 24' ' ' LEU . 0.9 OUTLIER 60.56 112.74 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.582 0.706 . . . . 0.0 110.931 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.723 ' HD2' HD12 ' A' ' 24' ' ' LEU . 53.8 Cg_endo -69.72 -168.7 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.698 2.266 . . . . 0.0 112.343 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.38 -15.98 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -127.16 -174.74 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -156.57 19.02 0.44 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.449 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.422 ' HG3' ' HB2' ' A' ' 37' ' ' ASP . 0.1 OUTLIER -79.4 151.02 31.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.895 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.577 ' HE3' HD11 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -48.35 -29.24 3.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -71.01 -44.2 66.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.422 ' HB2' ' HG3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -66.32 -45.22 81.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.027 HD21 HD13 ' A' ' 24' ' ' LEU . 89.9 mt -61.15 -58.07 9.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.916 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.616 HD12 ' CD2' ' A' ' 20' ' ' LEU . 1.3 mp -51.5 -54.49 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.467 ' N ' HG22 ' A' ' 39' ' ' ILE . 1.1 t70 -61.43 -30.53 70.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.9 OUTLIER -69.44 -52.53 25.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.795 ' HA ' HD12 ' A' ' 45' ' ' LEU . 48.4 t -53.46 -55.33 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 5.7 mt -59.83 -36.07 76.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.29 -31.65 72.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.795 HD12 ' HA ' ' A' ' 42' ' ' VAL . 3.8 mt -75.38 -50.28 16.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.829 ' HB2' HG22 ' A' ' 5' ' ' VAL . 4.0 mt -72.72 -11.63 60.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.9 m -107.1 -73.02 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.89 -14.43 59.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.4 24.89 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -22.95 5.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.73 50.53 4.64 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -120.81 -5.44 9.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.337 . . . . 0.0 110.88 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.94 -13.15 9.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.61 -172.1 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.4 p-80 -146.19 166.8 25.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.75 47.95 0.65 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.486 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.24 -74.08 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.95 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.443 ' HA3' HG23 ' A' ' 64' ' ' THR . . . -82.02 7.98 61.68 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.509 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.36 18.94 6.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.894 0.378 . . . . 0.0 110.875 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -144.78 18.83 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.449 ' ND2' ' N ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -179.13 -101.75 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.448 ' N ' HD22 ' A' ' 61' ' ' ASN . 9.0 m -157.33 20.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.547 HD23 HD22 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -94.49 62.29 2.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.443 HG23 ' HA3' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -131.2 159.2 38.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.162 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -53.84 -34.7 60.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -63.95 -40.35 96.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.58 -53.55 40.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.499 ' HA ' HD12 ' A' ' 23' ' ' ILE . 84.8 t -56.78 -45.32 82.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.85 -28.23 65.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -63.86 -50.56 68.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.639 HG21 ' HB3' ' A' ' 22' ' ' ASP . 13.0 mm -67.85 -51.68 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.595 HG13 ' HB3' ' A' ' 11' ' ' LYS . 77.3 t -53.66 -40.06 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -66.87 -45.77 77.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -58.32 -39.94 80.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.79 -45.2 75.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -64.92 -31.2 72.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.4 -46.23 49.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.76 -37.84 85.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.4 ttp -77.05 -43.01 36.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -129.56 69.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 67.0 mt -50.5 -30.74 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -94.56 91.64 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -175.77 -74.96 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 62.18 76.03 0.4 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.635 0.731 . . . . 0.0 111.085 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -8.62 24.07 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 45.0 t0 56.57 42.94 26.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 63.43 36.68 11.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 56.2 25.0 8.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.98 105.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -93.95 21.94 6.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.3 t -64.44 -25.88 68.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -59.03 -75.24 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.409 ' HB2' ' HB2' ' A' ' -1' ' ' ALA . 0.4 OUTLIER -179.83 98.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -125.0 -40.56 0.41 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 70.33 10.07 7.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -112.24 -2.99 14.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.832 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -78.89 -13.37 59.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.5 m -166.64 43.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.836 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -72.41 78.65 1.02 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -146.57 90.46 5.56 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -171.62 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.692 2.261 . . . . 0.0 112.367 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -117.55 35.09 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.138 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.09 25.97 15.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 52.05 43.08 30.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.88 179.79 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.925 0.393 . . . . 0.0 110.855 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -103.62 45.26 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 31.5 mtp -146.64 83.74 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -118.83 -8.84 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.04 -55.19 15.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.15 -21.43 66.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -77.4 -43.78 31.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tt -69.81 -41.7 74.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.05 -51.21 51.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.109 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -61.62 -38.25 86.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.9 t -72.71 -53.16 12.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.482 ' HA ' HG11 ' A' ' 72' ' ' VAL . 56.1 m -60.09 -38.25 82.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -53.54 24.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -52.07 -44.71 64.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.63 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -72.18 -60.34 2.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.918 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 39' ' ' ILE . 0.5 OUTLIER -48.78 -40.41 28.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.08 68.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -75.4 -7.57 54.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 75' ' ' THR . 9.6 m-85 -98.97 136.56 38.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.4 ttm180 -52.84 174.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.632 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.7 mt -50.57 -24.75 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.29 -49.37 23.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.538 ' OE2' HG22 ' A' ' 71' ' ' ILE . 2.2 mm-40 -56.8 -56.04 26.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.785 HD21 HG13 ' A' ' 39' ' ' ILE . 3.6 mt -56.13 -40.45 73.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -42.73 93.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -62.97 -41.97 99.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.477 HG21 HG22 ' A' ' 42' ' ' VAL . 39.6 mm -62.24 -57.44 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -60.15 -31.88 70.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -45.23 86.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -68.24 -35.85 78.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.031 HD21 HD12 ' A' ' 29' ' ' LEU . 3.1 tp -71.08 -33.32 70.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.16 42.26 7.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.536 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.031 HD12 HD21 ' A' ' 27' ' ' LEU . 15.7 mt -134.39 59.85 39.44 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.61 0.719 . . . . 0.0 110.925 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.542 ' HA ' HD13 ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.85 81.75 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.307 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -174.24 57.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -111.55 -179.62 3.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.43 -122.72 2.51 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.65 -173.51 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.36 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.571 ' HA ' HD12 ' A' ' 38' ' ' LEU . 5.0 mtpt -49.41 -30.85 8.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -71.68 -45.91 60.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -46.59 89.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.623 ' HB2' HD22 ' A' ' 20' ' ' LEU . 1.7 mt -63.75 -56.92 11.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.785 HG13 HD21 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -51.22 -49.29 30.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.812 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' N ' HG22 ' A' ' 39' ' ' ILE . 2.3 t70 -63.67 -31.8 73.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.48 -46.71 63.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.477 HG22 HG21 ' A' ' 23' ' ' ILE . 54.9 t -58.85 -57.52 10.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 19.7 mt -57.26 -42.55 81.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.58 -22.26 66.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.074 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -81.51 -43.66 18.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.842 HD11 HG11 ' A' ' 68' ' ' VAL . 5.3 mt -84.84 -5.59 59.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 78.9 m -112.65 -55.91 2.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.43 -7.52 58.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -134.36 20.8 3.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.29 -14.05 45.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.947 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 127.9 41.48 0.28 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.484 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -47.71 82.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 178.93 66.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -158.41 76.03 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -58.1 167.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.69 48.07 0.7 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.464 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.37 -67.93 0.96 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.83 0.347 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.05 -11.14 44.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 65.46 8.07 4.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.83 8.03 2.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.488 HD22 ' N ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -66.35 -10.43 42.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.488 ' N ' HD22 ' A' ' 61' ' ' ASN . 1.4 m 62.62 37.51 12.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.431 HD12 ' C ' ' A' ' 63' ' ' LEU . 4.4 pp -147.93 19.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.949 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.36 -177.95 3.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.588 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -48.9 -30.46 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -49.03 75.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.428 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -65.92 -52.1 52.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.842 HG11 HD11 ' A' ' 46' ' ' LEU . 99.7 t -56.09 -46.08 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.402 ' HB1' ' CD1' ' A' ' 87' ' ' LEU . . . -73.4 -23.97 60.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.8 ttpt -67.4 -49.87 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.538 HG22 ' OE2' ' A' ' 19' ' ' GLU . 14.3 mm -74.14 -39.31 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.63 HG13 ' CB ' ' A' ' 11' ' ' LYS . 38.9 t -64.14 -40.35 88.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -72.76 -44.02 62.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -66.85 -44.82 80.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.569 HG22 ' CZ ' ' A' ' 15' ' ' PHE . 39.2 m -67.18 -39.08 86.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -73.17 -51.46 17.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.8 ptp180 -58.45 -37.81 76.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -24.97 37.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.7 ttp -63.78 -56.5 15.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -149.63 14.83 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 41.15 85.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -66.03 174.22 2.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 3.8 t -81.45 51.11 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 50.23 85.99 0.17 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -4.26 13.71 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 55.68 65.92 1.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.838 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.402 ' CD1' ' HB1' ' A' ' 69' ' ' ALA . 0.4 OUTLIER -48.1 -33.73 8.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 89' ' ' THR . . . -165.72 -77.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.11 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -179.42 -34.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.141 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.69 21.65 12.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.4 t -147.93 -74.05 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 52.22 29.6 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.846 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.7 t 63.12 40.58 8.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 149.05 83.49 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 p -135.02 8.03 3.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.9 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.2 23.84 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.839 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 26.2 t80 62.68 20.18 11.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 m 56.55 88.44 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -76.1 69.54 2.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -50.76 137.71 24.51 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.609 0.719 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -171.65 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.06 34.52 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.51 -77.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -174.75 -159.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 1.4 p -164.59 -171.11 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 110.87 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -74.58 83.88 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 30.4 mtm -146.31 53.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 92' ' ' HIS . . . 50.65 25.72 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.1 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.484 ' O ' HG23 ' A' ' 5' ' ' VAL . 68.0 m -131.44 -32.94 1.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' -4' ' ' SER . . . -67.92 -26.09 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.94 -43.51 35.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.487 HD21 ' CB ' ' A' ' 65' ' ' LYS . 2.3 tp -69.4 -41.72 76.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 1' ' ' SER . 90.2 t -67.97 -51.58 47.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.8 m -61.42 -37.84 84.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 64.1 m -73.11 -52.97 12.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.895 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.7 m -59.62 -39.75 85.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -53.77 24.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -50.98 -48.33 61.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -67.15 -57.9 5.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.837 HD11 HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -49.17 -41.19 35.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.4 -40.85 81.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -76.42 -12.74 60.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -98.55 134.41 41.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -54.17 176.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.752 ' HA ' HD12 ' A' ' 20' ' ' LEU . 2.0 mt -51.5 -24.75 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.62 -49.31 27.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' OE2' HG22 ' A' ' 71' ' ' ILE . 2.5 mm-40 -54.89 -56.96 13.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.837 HD23 HD11 ' A' ' 12' ' ' LEU . 0.7 OUTLIER -59.58 -32.25 70.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.55 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -61.66 -47.62 84.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.47 -40.34 95.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.613 HG21 HG22 ' A' ' 42' ' ' VAL . 38.9 mm -66.06 -57.23 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.727 ' HA ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -60.5 -26.45 66.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.618 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -72.17 -43.8 64.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -76.54 -24.84 53.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 24' ' ' LEU . 20.6 mt -67.74 -12.13 59.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.61 16.4 15.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.8 mt 64.33 84.12 0.19 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.596 0.713 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -161.05 0.07 OUTLIER 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.353 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.74 0.78 6.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.933 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 70.36 -161.63 0.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' HA3' ' HB3' ' A' ' 37' ' ' ASP . . . 140.43 150.64 5.48 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.492 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.48 177.91 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -49.42 -40.93 38.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.6 -55.16 25.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.428 ' HB3' ' HA3' ' A' ' 33' ' ' GLY . 0.3 OUTLIER -51.75 -48.95 63.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.668 ' HB3' HD22 ' A' ' 20' ' ' LEU . 27.9 mt -55.58 -52.28 64.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.945 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.654 ' HA ' HD21 ' A' ' 12' ' ' LEU . 1.3 mt -51.25 -54.87 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -61.43 -26.61 67.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -50.15 60.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.613 HG22 HG21 ' A' ' 23' ' ' ILE . 25.0 t -60.3 -54.35 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 11.1 mt -57.36 -39.43 75.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.37 -24.88 63.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.082 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.49 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.82 -44.91 25.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.999 HD21 HG21 ' A' ' 68' ' ' VAL . 8.5 mt -80.1 -11.75 59.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.5 m -106.59 -65.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.65 -11.68 60.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 3.4 mt-10 -131.36 24.09 4.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.33 -21.77 6.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.08 44.24 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.89 35.79 1.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.307 . . . . 0.0 110.907 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -146.98 14.85 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 53.88 90.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 22.0 p80 -54.05 172.31 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 121.18 42.68 0.46 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.67 -72.26 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.772 0.32 . . . . 0.0 110.899 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.06 -40.28 3.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.519 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.67 12.98 11.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.6 ptmt -161.94 37.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.98 4.34 26.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.417 ' C ' HD23 ' A' ' 63' ' ' LEU . 1.4 m -75.41 54.61 0.75 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.685 ' CB ' HD23 ' A' ' 27' ' ' LEU . 0.3 OUTLIER 179.38 31.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.945 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.45 -178.97 5.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.153 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.585 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -50.89 -36.11 36.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.07 -45.09 93.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.87 -53.58 48.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.999 HG21 HD21 ' A' ' 46' ' ' LEU . 84.4 t -54.34 -43.32 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.62 -31.7 69.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.063 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.5 ttpp -64.05 -50.39 68.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.448 HG22 ' OE2' ' A' ' 19' ' ' GLU . 20.4 mm -66.97 -52.53 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.474 HG13 ' HB3' ' A' ' 11' ' ' LYS . 45.2 t -52.18 -41.14 32.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -66.7 -42.37 86.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -63.12 -48.48 78.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -51.07 71.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.116 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -46.07 85.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.415 ' HA ' ' HB ' ' A' ' 81' ' ' ILE . 33.9 mtm180 -51.88 -46.61 64.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.5 tttt -79.68 -25.01 41.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 1.5 ttp -56.16 -57.8 10.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.86 31.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.673 HG21 ' N ' ' A' ' 85' ' ' PRO . 35.6 mm -107.85 -76.73 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.412 ' CB ' ' O ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER 77.14 -46.96 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 2.8 t -90.02 32.92 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.433 ' C ' HG21 ' A' ' 81' ' ' ILE . . . 65.38 123.15 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.555 0.693 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.673 ' N ' HG21 ' A' ' 81' ' ' ILE . 53.7 Cg_endo -69.78 -1.32 8.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.25 . . . . 0.0 112.344 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 66.95 65.66 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.4 tp -43.18 -73.41 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -175.87 31.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 59.96 102.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -74.04 72.79 1.67 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.8 p 179.48 34.86 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.659 ' O ' ' HB2' ' A' ' -1' ' ' ALA . 2.5 t60 -83.54 59.81 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.6 t 63.43 94.4 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 129.2 79.16 0.23 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.28 16.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 110.826 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -125.06 -5.27 7.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.01 9.65 36.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.3 t -171.74 64.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -74.54 74.35 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.03 160.64 0.8 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.655 0.741 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -172.62 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.386 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.23 34.07 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -51.29 -32.03 23.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 61.47 47.88 6.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.72 29.37 5.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.947 0.403 . . . . 0.0 110.873 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 54.9 m170 56.58 44.85 23.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 5.8 ttp 65.66 44.1 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 63.93 34.23 11.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.508 ' O ' HG23 ' A' ' 5' ' ' VAL . 1.0 OUTLIER 76.49 -2.51 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.06 -31.74 66.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -77.55 -39.85 44.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 65' ' ' LYS . 1.9 tt -69.64 -41.17 75.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 1' ' ' SER . 74.1 t -71.78 -52.04 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.5 m -58.28 -40.95 83.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.2 m -70.26 -50.69 37.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.0 m -58.65 -44.47 90.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -54.05 45.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -51.18 -44.37 61.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.515 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -69.76 -59.25 3.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.629 HD23 ' CG1' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -49.47 -41.22 39.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.39 79.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -76.53 -11.61 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.524 ' CE1' HG22 ' A' ' 75' ' ' THR . 13.1 m-85 -94.64 133.37 38.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.868 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -52.51 173.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -50.3 -25.96 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.178 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.6 -49.55 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -60.32 -54.33 46.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.805 HD23 ' HB2' ' A' ' 38' ' ' LEU . 9.7 mp -54.51 -39.69 67.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -46.24 89.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.93 -43.68 86.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.788 HG21 HG22 ' A' ' 42' ' ' VAL . 47.1 mm -62.25 -57.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -59.56 -31.6 69.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.58 -46.27 83.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -67.18 -35.44 79.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.955 HD21 HD12 ' A' ' 29' ' ' LEU . 1.6 tp -68.06 -33.45 74.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.03 43.01 7.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.483 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.955 HD12 HD21 ' A' ' 27' ' ' LEU . 15.3 mt -136.81 59.74 25.6 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.584 0.707 . . . . 0.0 110.885 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 75.89 1.18 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.345 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.89 57.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.98 -179.11 3.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.06 -121.78 1.48 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.488 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.89 -173.13 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.728 ' HG2' HD22 ' A' ' 20' ' ' LEU . 8.1 mtpt -49.7 -29.31 7.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -71.99 -47.98 48.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -49.62 77.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.805 ' HB2' HD23 ' A' ' 20' ' ' LEU . 1.4 mt -60.8 -56.47 20.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.629 ' CG1' HD23 ' A' ' 12' ' ' LEU . 3.1 mt -51.52 -50.21 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -58.64 -32.0 68.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -47.29 67.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.788 HG22 HG21 ' A' ' 23' ' ' ILE . 51.8 t -58.35 -57.54 10.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 13.2 mt -57.15 -43.08 82.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.39 -21.46 66.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.06 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.478 HD11 ' O ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -81.26 -42.25 20.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.815 HD11 HG21 ' A' ' 68' ' ' VAL . 4.3 mt -87.77 -4.91 58.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.7 m -112.55 -49.43 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.89 -5.58 44.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 1.9 mt-10 -135.91 14.13 3.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.27 -44.51 8.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.944 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.09 1.69 41.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 53.56 23.18 3.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.788 0.327 . . . . 0.0 110.88 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 67.4 mtm180 60.9 18.45 8.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -76.0 -72.83 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -175.83 165.43 3.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.81 46.57 0.71 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.434 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.01 -68.47 0.92 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.45 -13.57 59.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.513 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' O ' ' CG ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER 65.23 9.01 5.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 -179.855 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.77 -12.24 4.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.497 ' OD1' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -53.2 -26.35 17.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.5 m 47.16 34.15 2.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.478 ' O ' HD11 ' A' ' 45' ' ' LEU . 1.2 pp -146.11 23.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.497 HG23 ' OD1' ' A' ' 61' ' ' ASN . 0.6 OUTLIER -111.35 -179.65 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.466 ' HB2' HD21 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -50.79 -30.45 14.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.903 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -65.32 -47.55 76.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.85 -52.71 55.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.078 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.815 HG21 HD11 ' A' ' 46' ' ' LEU . 97.8 t -55.35 -45.17 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.414 ' HB1' ' HG ' ' A' ' 87' ' ' LEU . . . -71.19 -28.63 64.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.6 ttpp -64.36 -49.52 71.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 18.8 mm -71.13 -40.09 74.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.082 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.515 HG13 ' CB ' ' A' ' 11' ' ' LYS . 37.7 t -59.25 -41.67 84.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.142 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -71.31 -49.37 43.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.66 -40.72 93.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.524 HG22 ' CE1' ' A' ' 15' ' ' PHE . 62.6 m -67.49 -42.21 83.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.109 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -66.21 -52.4 48.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -59.16 -36.88 76.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.2 -22.71 41.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 5.2 ttp -67.82 -58.39 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -142.55 1.32 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 26.9 mt 64.89 118.36 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -104.8 -162.7 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 58.1 m -87.93 38.21 0.83 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 48.57 78.72 0.38 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.645 0.736 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -6.29 18.26 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.664 2.243 . . . . 0.0 112.363 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 50.95 34.51 10.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.414 ' HG ' ' HB1' ' A' ' 69' ' ' ALA . 0.5 OUTLIER 62.07 62.0 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 52.18 29.24 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 64.73 104.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.5 mmm-85 -95.99 22.3 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.4 p -94.07 42.32 1.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -125.44 29.73 5.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 p -168.69 140.97 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -74.5 -57.05 4.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 69.23 11.42 8.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.84 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.8 m-20 -120.58 -2.26 9.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.79 9.22 34.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.839 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -168.47 47.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -74.17 74.51 1.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -50.3 157.04 1.27 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -172.36 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.72 2.28 . . . . 0.0 112.324 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.29 31.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 51.19 39.11 22.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -69.45 84.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 63.22 46.4 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.839 -179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 30.5 m80 62.3 47.49 5.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 7.5 mtp -145.86 82.79 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -122.04 -6.04 8.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 61.4 m -49.91 -55.97 12.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.02 -21.43 66.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -79.04 -41.96 27.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.9 tt -70.02 -39.42 75.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.618 HG22 ' HB2' ' A' ' 46' ' ' LEU . 98.7 t -71.9 -52.22 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.161 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.2 t -59.18 -41.77 89.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.1 t -68.84 -46.92 67.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' SG ' HG12 ' A' ' 68' ' ' VAL . 8.7 m -61.44 -39.96 92.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -54.98 21.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -51.42 -50.75 59.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.658 ' CD ' HG13 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -65.17 -57.62 8.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.55 HD11 ' HG ' ' A' ' 20' ' ' LEU . 0.7 OUTLIER -49.31 -41.34 38.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.62 -35.54 77.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -81.25 -11.22 59.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -102.73 139.29 38.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -50.75 170.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.915 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mt -52.66 -22.6 3.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.099 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -49.59 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -60.33 -53.62 55.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.72 HD21 HG13 ' A' ' 39' ' ' ILE . 6.3 mp -58.44 -31.31 67.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.952 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.564 ' HA ' HD22 ' A' ' 24' ' ' LEU . 1.7 tttm -68.42 -45.62 72.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -62.59 -39.47 93.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.572 HG21 HG22 ' A' ' 42' ' ' VAL . 46.3 mm -67.57 -57.75 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -59.54 -26.32 65.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.64 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -74.83 -45.97 39.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -68.79 -28.62 66.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.597 HD12 ' HA ' ' A' ' 24' ' ' LEU . 17.8 mt -66.54 -28.13 68.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.46 27.8 26.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.465 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.445 HD22 ' CZ ' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -131.21 56.93 27.75 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.607 0.718 . . . . 0.0 110.879 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' CD ' ' N ' ' A' ' 29' ' ' LEU . 53.2 Cg_endo -69.83 78.63 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.32 57.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.24 -172.03 2.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.24 -119.6 4.07 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.62 -172.61 2.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.825 0.345 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.64 ' HD2' HD22 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -50.03 -28.18 6.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 179.858 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -70.45 -48.11 57.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -48.19 82.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.841 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.61 HD21 HD13 ' A' ' 24' ' ' LEU . 71.9 mt -58.93 -56.21 25.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.72 HG13 HD21 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -52.12 -53.69 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' N ' HG22 ' A' ' 39' ' ' ILE . 9.6 t0 -57.34 -30.07 64.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.445 ' CZ ' HD22 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -68.53 -49.42 59.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.853 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.572 HG22 HG21 ' A' ' 23' ' ' ILE . 44.8 t -57.41 -55.59 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 6.7 mt -59.52 -38.24 80.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.73 -25.73 67.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.482 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -79.74 -44.55 20.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.768 HD21 HG21 ' A' ' 68' ' ' VAL . 6.7 mt -81.6 -6.83 59.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.5 m -112.74 -63.02 1.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.119 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.69 -10.54 59.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 2.3 mt-10 -127.77 22.73 6.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.424 HE21 ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -73.03 -2.94 23.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.875 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.424 ' N ' HE21 ' A' ' 50' ' ' GLN . . . -68.95 -7.82 56.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.543 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.54 59.38 1.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.849 0.356 . . . . 0.0 110.93 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.5 mtm180 -118.19 -12.8 9.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.56 -71.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.454 ' HA ' ' CE2' ' A' ' 57' ' ' TRP . 33.7 p80 -174.96 162.67 3.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.47 44.3 1.26 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.518 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.454 ' CE2' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -114.36 -74.14 0.63 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.806 0.336 . . . . 0.0 110.903 -179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 130.13 -2.56 5.89 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.443 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.428 ' O ' ' CG ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER 66.2 10.15 6.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.359 . . . . 0.0 110.869 -179.833 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.19 36.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.521 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 1.1 p30 -71.34 -8.63 55.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.483 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 0.9 OUTLIER 49.67 42.61 23.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.804 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.433 ' CB ' HD23 ' A' ' 27' ' ' LEU . 2.1 pp -161.1 30.68 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.9 p -139.84 179.76 6.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.691 ' HG2' HD22 ' A' ' 46' ' ' LEU . 36.4 mtmt -51.92 -34.7 42.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -46.31 89.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.483 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -63.53 -51.05 67.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.768 HG21 HD21 ' A' ' 46' ' ' LEU . 36.2 t -55.71 -47.25 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.784 ' HB1' HD13 ' A' ' 87' ' ' LEU . . . -69.44 -28.65 66.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.099 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.47 -49.67 74.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.3 mm -72.32 -34.47 49.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.658 HG13 ' CD ' ' A' ' 11' ' ' LYS . 17.6 t -59.12 -47.1 91.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.403 ' HB2' HD22 ' A' ' 87' ' ' LEU . 2.2 t0 -74.06 -39.45 63.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.69 -51.8 65.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.3 m -66.85 -38.41 86.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.091 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -66.91 -53.69 29.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -59.33 -34.35 72.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.53 -24.17 36.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -56.72 10.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -147.28 13.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 42.24 88.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.547 HE21 ' N ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -63.31 -76.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.547 ' N ' HE21 ' A' ' 82' ' ' GLN . 0.1 OUTLIER 176.54 33.26 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 51.63 75.15 0.68 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.543 0.687 . . . . 0.0 111.107 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -5.93 17.38 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.0 t70 65.77 78.84 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.784 HD13 ' HB1' ' A' ' 69' ' ' ALA . 1.4 pp -57.57 -19.35 24.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 67.02 70.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.088 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 94.3 m -49.13 -69.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -159.95 24.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -104.4 58.8 0.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -134.48 25.71 3.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 27.0 p -154.14 -168.36 2.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.81 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -93.05 -116.58 2.48 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 p -179.29 29.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.877 0.37 . . . . 0.0 110.883 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -127.58 -3.84 6.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.01 9.18 38.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.7 t -176.03 60.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -76.98 63.32 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 101' ' ' PRO . 0.0 OUTLIER -49.14 108.03 0.89 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.606 0.717 . . . . 0.0 110.86 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 100' ' ' ARG . 53.9 Cg_endo -69.78 95.01 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -141.99 34.35 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.165 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -51.07 -31.09 17.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -69.09 84.72 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 179.922 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.56 -66.1 0.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.932 0.396 . . . . 0.0 110.878 -179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -148.09 44.83 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 18.9 mmt -150.98 87.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -114.76 -6.95 12.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -54.37 30.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.73 -20.97 66.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -77.36 -45.0 27.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.537 HD12 HG22 ' A' ' 89' ' ' THR . 0.8 OUTLIER -69.82 -41.27 75.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.0 t -67.78 -51.55 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.3 t -61.69 -38.25 87.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.0 m -72.33 -52.44 16.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.2 m -60.12 -40.58 90.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.38 -54.27 26.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -51.08 -46.03 61.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HB3' HG13 ' A' ' 72' ' ' VAL . 1.8 mmtp -69.31 -52.02 31.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.684 HD11 HG21 ' A' ' 42' ' ' VAL . 0.7 OUTLIER -53.08 -41.74 65.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.92 -43.37 75.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.084 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -72.79 -14.8 61.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -97.47 132.16 43.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -50.96 170.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mt -50.27 -25.34 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -47.83 -49.46 29.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -58.3 -52.89 63.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.716 HD21 HG13 ' A' ' 39' ' ' ILE . 6.6 mp -60.25 -32.92 71.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.53 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -65.01 -47.73 76.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.832 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -61.85 -41.21 97.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.46 HD13 HG13 ' A' ' 68' ' ' VAL . 82.1 mt -65.72 -58.06 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -59.47 -26.37 65.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.63 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -73.27 -44.37 59.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -75.38 -22.52 57.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 24' ' ' LEU . 26.3 mt -66.39 -33.08 74.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.958 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.81 21.19 12.59 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.472 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.417 ' N ' ' CD ' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -141.48 56.07 5.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.655 0.741 . . . . 0.0 110.926 -179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 29' ' ' LEU . 53.7 Cg_endo -69.77 75.07 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.68 2.254 . . . . 0.0 112.356 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.03 59.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.07 -177.39 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.36 -123.91 1.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.56 -173.53 2.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.846 0.355 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.608 ' HG3' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -48.35 -31.4 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -52.15 20.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.99 -47.74 82.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.511 ' CB ' HD23 ' A' ' 20' ' ' LEU . 6.8 mt -58.52 -54.61 45.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.716 HG13 HD21 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -51.55 -49.58 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.83 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' N ' HG22 ' A' ' 39' ' ' ILE . 1.4 t0 -59.37 -32.95 70.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -47.31 69.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.684 HG21 HD11 ' A' ' 12' ' ' LEU . 60.2 t -58.25 -57.03 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 8.1 mt -57.03 -39.38 74.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.64 -25.16 65.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.507 HD22 HD21 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -79.09 -44.34 22.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.988 HD21 HG21 ' A' ' 68' ' ' VAL . 8.2 mt -80.88 -10.21 59.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.5 m -108.25 -63.64 1.3 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.17 -10.45 59.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 2.9 mt-10 -132.57 23.3 4.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.14 -23.5 5.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.61 38.8 15.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.501 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.65 -32.11 22.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.742 0.306 . . . . 0.0 110.867 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -131.73 47.07 2.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -179.61 137.98 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -51.54 103.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.516 ' O ' HG21 ' A' ' 64' ' ' THR . . . -138.87 55.25 0.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -118.72 -60.81 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.921 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 52.4 25.61 20.3 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.478 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.27 68.0 0.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.89 67.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.506 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -87.54 14.63 7.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.487 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 0.7 OUTLIER 50.26 41.22 23.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.57 ' HA ' HD23 ' A' ' 27' ' ' LEU . 3.2 pp -159.02 24.0 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.516 HG21 ' O ' ' A' ' 56' ' ' GLY . 0.8 OUTLIER -131.67 -179.44 5.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.613 ' HA ' HD22 ' A' ' 46' ' ' LEU . 1.8 mtmt -50.86 -37.12 41.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.914 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.0 -42.62 99.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.487 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -64.79 -53.47 46.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.988 HG21 HD21 ' A' ' 46' ' ' LEU . 58.9 t -54.56 -45.3 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.543 ' CB ' HG21 ' A' ' 89' ' ' THR . . . -69.4 -30.96 69.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -62.1 -50.31 72.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.2 mm -67.12 -51.92 48.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.449 HG13 ' HB3' ' A' ' 11' ' ' LYS . 54.8 t -52.74 -39.33 30.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.473 ' OD2' HD11 ' A' ' 87' ' ' LEU . 7.4 m-20 -67.7 -44.43 77.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.93 -51.73 68.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -42.45 94.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -67.12 -45.61 76.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.71 -45.5 77.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.2 ptpp? -79.33 -23.46 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 4.8 ttp -66.61 -59.77 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.41 ' O ' ' HB ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -139.16 -7.18 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' A' ' 80' ' ' GLN . 24.8 mt 73.84 -57.28 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 63.82 -101.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.967 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 173.58 33.15 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 54.87 96.3 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.596 0.712 . . . . 0.0 111.112 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -4.09 13.34 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.685 2.256 . . . . 0.0 112.358 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 t0 64.49 80.19 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.845 ' H ' HD13 ' A' ' 87' ' ' LEU . 0.0 OUTLIER -73.73 -2.77 24.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.428 ' N ' HD22 ' A' ' 87' ' ' LEU . . . 49.59 69.39 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.747 HG23 HD23 ' A' ' 87' ' ' LEU . 14.5 p -107.62 -105.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.13 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 48.38 25.76 0.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.23 91.75 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -75.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.83 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.92 149.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.819 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 157.12 110.23 0.3 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.2 t -133.91 -160.2 1.03 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.36 -10.46 24.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.33 12.62 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 m 63.56 106.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 13.6 t80 62.36 58.89 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -146.65 90.59 5.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.643 0.735 . . . . 0.0 110.834 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -171.75 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.735 2.29 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.21 32.37 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 51.47 39.06 23.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.72 85.47 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.113 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 26.5 m -104.2 57.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.823 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 78.9 m80 58.82 44.11 17.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . 0.402 ' HB2' ' HB2' ' A' ' 3' ' ' ASP . 13.0 ttm 66.45 44.21 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' -2' ' ' MET . . . 66.36 31.64 8.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.079 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.47 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.5 OUTLIER 75.27 -3.21 2.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.779 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.47 -32.54 66.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.402 ' HB2' ' HB2' ' A' ' -2' ' ' MET . 26.8 t70 -78.0 -40.22 39.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.701 HD11 ' HB2' ' A' ' 65' ' ' LYS . 0.8 OUTLIER -69.23 -41.84 76.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 1' ' ' SER . 76.1 t -70.83 -51.85 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 m -58.77 -40.43 83.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.1 m -71.22 -48.98 48.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.6 m -60.0 -44.41 94.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.48 -54.34 37.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -50.51 -49.76 54.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -65.89 -53.43 39.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.549 HD11 HG21 ' A' ' 42' ' ' VAL . 0.6 OUTLIER -50.98 -43.2 60.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.36 82.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -73.18 -19.3 61.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -97.71 132.45 43.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ttm180 -51.87 171.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt -51.34 -24.85 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 tptt -47.82 -49.74 28.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.83 -53.07 61.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.672 HD21 HG13 ' A' ' 39' ' ' ILE . 6.6 mp -58.5 -31.58 68.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.522 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.59 -47.72 68.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.824 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -41.67 97.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 77.1 mt -64.6 -58.42 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.779 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -60.23 -26.98 66.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.619 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -69.77 -46.53 65.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -68.9 -30.66 69.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.872 HD21 HD22 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -67.71 -26.67 66.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.83 30.75 4.44 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.872 HD22 HD21 ' A' ' 27' ' ' LEU . 2.8 mp -102.86 159.41 29.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.714 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.439 ' HD2' ' HG ' ' A' ' 29' ' ' LEU . 54.3 Cg_endo -69.71 165.02 32.32 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.69 2.26 . . . . 0.0 112.371 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.69 -30.86 71.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -59.53 -171.7 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 102.48 94.26 2.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -57.72 173.12 0.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.331 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.636 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.5 OUTLIER -51.13 -37.64 47.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.836 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -71.67 -47.24 55.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -48.97 74.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.772 ' CD2' HD13 ' A' ' 24' ' ' LEU . 4.7 mt -62.75 -57.06 12.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.672 HG13 HD21 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -51.52 -50.26 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.837 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -60.56 -32.74 71.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.405 ' HD2' HD21 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -68.26 -47.27 68.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.549 HG21 HD11 ' A' ' 12' ' ' LEU . 51.4 t -59.32 -57.56 10.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.161 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 10.8 mt -57.51 -37.33 72.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.49 -27.54 67.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.053 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.485 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -78.04 -44.96 24.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.923 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.753 HD21 HG21 ' A' ' 68' ' ' VAL . 10.7 mt -78.49 -11.87 59.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.5 m -106.99 -67.23 0.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.27 -12.12 61.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -131.56 24.23 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.1 -21.82 5.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.55 55.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -34.2 23.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.749 0.309 . . . . 0.0 110.932 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 60.16 79.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 15.4 t-160 -142.89 -70.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -178.86 69.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.877 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -123.2 64.43 0.53 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.468 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.414 ' O ' ' HB3' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -118.74 -64.66 1.26 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.829 0.347 . . . . 0.0 110.859 -179.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 48.94 23.41 3.61 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 47.58 26.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.901 0.381 . . . . 0.0 110.87 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -161.54 18.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.485 ' N ' HD22 ' A' ' 61' ' ' ASN . 0.1 OUTLIER -76.23 54.05 0.86 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 55.9 p -76.42 54.75 0.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.401 ' H ' HD12 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -138.5 13.24 2.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.35 -178.2 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.701 ' HB2' HD11 ' A' ' 4' ' ' LEU . 1.4 pttm -49.5 -31.02 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.37 -45.01 73.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.27 -54.39 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.753 HG21 HD21 ' A' ' 46' ' ' LEU . 54.7 t -56.7 -43.61 79.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.3 -25.84 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.81 -48.7 70.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 12.3 mm -75.38 -40.68 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.465 HG13 ' HB3' ' A' ' 11' ' ' LYS . 6.4 t -62.82 -41.93 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.647 ' OD2' HD22 ' A' ' 87' ' ' LEU . 82.4 m-20 -72.59 -49.27 33.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -60.78 -39.7 89.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.513 HG22 ' SD ' ' A' ' 79' ' ' MET . 87.4 m -69.7 -42.72 73.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.151 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -67.94 -52.52 35.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' A' ' 81' ' ' ILE . 63.1 mtm180 -58.77 -45.96 88.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.9 -32.93 73.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.513 ' SD ' HG22 ' A' ' 75' ' ' THR . 3.1 mtp -58.91 -56.55 20.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -177.9 25.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 91.2 mt 62.52 -77.76 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.438 ' O ' ' C ' ' A' ' 83' ' ' CYS . 1.8 tt0 62.62 -150.73 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.438 ' C ' ' O ' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -33.81 -61.59 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 50.39 73.43 0.99 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.711 . . . . 0.0 111.094 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -2.65 10.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.695 2.263 . . . . 0.0 112.314 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 87' ' ' LEU . 9.5 t70 67.59 95.84 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.647 HD22 ' OD2' ' A' ' 73' ' ' ASP . 0.0 OUTLIER -36.41 -70.38 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.956 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 87' ' ' LEU . . . 178.14 35.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.5 m 54.91 28.02 9.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.195 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.25 22.84 12.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.828 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.1 m -85.02 -48.18 9.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -81.83 -23.66 36.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.8 m -148.01 113.02 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -91.79 -118.54 2.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.85 29.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.849 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -124.54 -4.99 7.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.31 9.34 43.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 p -179.26 65.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 41.1 p90 -110.44 38.95 2.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.03 156.99 1.19 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.583 0.706 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -171.84 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.724 2.282 . . . . 0.0 112.355 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.34 34.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.169 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -51.21 -76.78 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 179.98 -158.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.067 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 12.2 p -130.13 -42.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.869 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -132.87 47.22 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 30.8 mtm -145.79 83.81 1.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -113.34 -12.52 13.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.071 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.6 m -49.61 -54.96 15.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.33 -21.23 66.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.71 -43.54 30.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.68 HD11 ' HB3' ' A' ' 65' ' ' LYS . 9.5 tt -69.76 -41.57 75.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.8 t -68.37 -51.44 47.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -61.55 -38.55 87.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 29.6 t -72.07 -50.39 28.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 34.4 m -61.32 -40.05 92.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' HB2' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -66.8 -54.74 19.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.88 -48.65 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.629 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -66.58 -58.49 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.569 HD21 HG13 ' A' ' 39' ' ' ILE . 0.4 OUTLIER -49.34 -42.65 42.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.23 -38.58 85.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -74.77 -18.38 60.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -91.33 143.48 26.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -66.43 177.36 1.54 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.481 HG23 ' HE2' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -48.66 -26.59 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.57 -49.45 46.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.453 ' OE1' HG22 ' A' ' 71' ' ' ILE . 17.6 tp10 -60.83 -58.07 9.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.684 HD22 ' HE3' ' A' ' 35' ' ' LYS . 3.2 mp -56.27 -30.85 62.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.14 -49.72 66.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -60.42 -41.26 93.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.528 HD12 ' CD1' ' A' ' 12' ' ' LEU . 62.3 mt -64.4 -57.73 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.446 HD12 ' C ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -58.67 -32.75 69.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -44.54 86.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -68.36 -32.27 72.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.592 HD23 ' HG3' ' A' ' 30' ' ' PRO . 9.6 tp -71.0 -18.37 62.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.35 29.24 4.87 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER 49.62 82.82 0.23 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 110.877 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.592 ' HG3' HD23 ' A' ' 27' ' ' LEU . 53.7 Cg_endo -69.76 27.5 0.18 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.65 2.234 . . . . 0.0 112.385 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER 41.31 32.24 0.2 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -61.04 -174.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.55 -113.15 3.79 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.55 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.98 -172.73 2.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.684 ' HE3' HD22 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -50.91 -26.98 6.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -50.63 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.54 -47.15 73.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.684 HD12 ' NZ ' ' A' ' 35' ' ' LYS . 72.4 mt -56.62 -56.52 20.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.683 HG13 HD21 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -52.62 -54.22 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.166 179.784 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' HG22 ' A' ' 39' ' ' ILE . 5.4 t70 -57.07 -31.97 65.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -46.09 59.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.5 t -57.25 -57.52 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 6.7 mt -58.22 -40.91 82.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.0 -22.94 64.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -80.61 -44.86 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.953 HD11 HG11 ' A' ' 68' ' ' VAL . 7.2 mt -81.68 -8.46 59.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.3 m -110.5 -61.99 1.59 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.31 -9.32 59.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -132.87 22.72 4.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.71 -19.62 17.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 134.62 -24.66 3.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.479 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 51.83 24.14 2.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.798 0.333 . . . . 0.0 110.897 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 62.53 40.32 10.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -133.68 -69.37 0.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -141.98 -171.73 3.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.708 ' O ' HG21 ' A' ' 64' ' ' THR . . . 126.71 35.24 0.56 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.28 -63.14 1.5 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.798 0.332 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 51.78 27.66 20.86 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.541 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 44.37 65.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.922 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.42 68.19 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.468 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -85.32 10.09 13.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.499 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 0.1 OUTLIER 48.97 42.79 21.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.401 HD12 ' C ' ' A' ' 63' ' ' LEU . 3.7 pp -156.11 22.32 0.37 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.708 HG21 ' O ' ' A' ' 56' ' ' GLY . 0.6 OUTLIER -128.88 -178.51 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.176 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.68 ' HB3' HD11 ' A' ' 4' ' ' LEU . 18.9 mtmt -49.07 -30.94 6.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.71 -51.01 71.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.499 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -65.83 -51.7 56.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.953 HG11 HD11 ' A' ' 46' ' ' LEU . 48.5 t -56.3 -46.27 81.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.151 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.09 -26.03 61.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -65.16 -49.92 67.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.453 HG22 ' OE1' ' A' ' 19' ' ' GLU . 16.0 mm -72.66 -40.76 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.629 HG13 ' CB ' ' A' ' 11' ' ' LYS . 42.7 t -64.08 -38.37 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -71.24 -48.54 50.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.0 -43.37 92.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 96.6 m -62.03 -48.98 77.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.485 ' CD2' HD12 ' A' ' 81' ' ' ILE . 0.7 OUTLIER -68.69 -47.91 65.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 -179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -53.71 -43.27 68.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.852 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -79.43 -25.25 42.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.9 tpp -60.19 -55.6 31.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.77 30.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.485 HD12 ' CD2' ' A' ' 76' ' ' TYR . 4.7 mt -144.64 56.17 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -19.24 28.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 16.3 t -50.43 -27.5 6.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.425 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . . . 64.44 91.87 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.088 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 84' ' ' ALA . 53.6 Cg_endo -69.81 -8.16 22.9 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.358 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 46.2 t0 56.7 32.75 21.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.4 tp 52.16 57.26 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 51.23 44.76 28.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.5 m 64.72 31.63 11.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.49 23.43 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.7 t 58.56 79.71 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 85.7 m-70 51.9 67.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.89 129.14 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -72.39 -78.63 0.49 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.6 p -179.39 28.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.867 0.365 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -127.53 -3.35 6.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -103.46 9.22 37.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 p -178.81 61.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -73.89 75.75 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.67 90.53 5.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -171.79 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.673 2.249 . . . . 0.0 112.38 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.24 34.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -51.35 -30.81 19.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.06 82.49 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 47.0 m -114.71 30.61 7.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.88 0.371 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 33.4 m80 61.28 47.61 6.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.825 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 14.3 mtm -145.1 83.7 1.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -109.56 -16.92 13.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.123 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 93.5 p -50.54 -52.67 36.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.27 -21.85 66.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.88 -43.11 31.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.686 HD11 ' HB2' ' A' ' 65' ' ' LYS . 3.8 tt -69.87 -41.3 74.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.3 t -69.01 -51.5 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 m -60.87 -39.28 88.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.5 m -71.59 -52.56 17.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.4 m -59.85 -39.39 85.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -54.07 29.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -51.75 -47.49 64.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.626 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -69.25 -60.38 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.026 HD21 HD11 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -47.44 -43.21 23.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.38 77.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.1 t80 -72.29 -16.89 61.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -96.0 136.32 36.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -55.36 178.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mt -52.34 -24.86 6.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.42 -48.28 37.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 tp10 -58.25 -55.47 34.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 1.026 HD11 HD21 ' A' ' 12' ' ' LEU . 4.2 mm? -56.36 -51.89 66.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.561 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -55.04 -48.11 73.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.66 -49.68 67.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.3 mt -67.91 -59.48 3.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.649 HD23 ' N ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -50.14 -27.79 6.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.649 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -76.61 -46.16 27.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -63.62 -37.21 86.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.606 HD13 ' CB ' ' A' ' 63' ' ' LEU . 5.3 mt -67.6 -32.83 73.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 84.16 38.62 9.93 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.506 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.4 63.76 69.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.608 0.718 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -169.34 0.32 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.331 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? 68.74 59.03 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.81 -169.56 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.2 -127.61 5.68 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.493 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -98.77 -172.53 2.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.866 0.365 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.49 -30.53 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -71.74 -45.48 61.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -48.1 83.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.62 HD13 ' HB3' ' A' ' 20' ' ' LEU . 70.6 mt -62.92 -55.37 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.47 HG12 HD23 ' A' ' 12' ' ' LEU . 5.9 mt -51.66 -55.42 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.113 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -56.69 -33.89 66.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.566 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.62 -55.38 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.465 HG11 HD13 ' A' ' 12' ' ' LEU . 4.9 t -53.98 -50.75 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 15.8 mt -55.07 -37.85 67.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.55 -42.18 87.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.938 HD23 HD13 ' A' ' 63' ' ' LEU . 10.8 mp -56.47 -52.31 65.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.706 HD21 HG21 ' A' ' 68' ' ' VAL . 1.9 mt -73.62 -25.25 60.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.9 m -80.4 -69.55 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.188 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -20.06 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 45' ' ' LEU . 4.2 mt-10 -62.99 -12.19 24.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.643 HE21 ' N ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -71.49 -5.32 32.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.946 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.643 ' N ' HE21 ' A' ' 50' ' ' GLN . . . -50.32 -26.52 9.67 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.474 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.12 -31.96 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 69.02 38.08 2.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -157.83 37.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -55.89 179.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.05 39.74 0.51 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.448 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.68 -68.93 0.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.83 0.348 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.29 4.97 58.24 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -116.11 4.0 13.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -111.92 -7.81 14.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.464 ' ND2' ' N ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER -155.19 15.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 45.47 36.02 2.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.938 HD13 HD23 ' A' ' 45' ' ' LEU . 3.5 pp -167.27 133.62 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.93 173.26 17.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.686 ' HB2' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -54.92 -34.12 62.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.905 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.5 -45.06 92.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.14 -54.02 36.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.706 HG21 HD21 ' A' ' 46' ' ' LEU . 58.4 t -57.56 -44.97 86.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.148 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.89 -24.85 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -66.67 -48.84 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.6 mm -72.73 -39.23 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.131 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.626 HG13 ' CB ' ' A' ' 11' ' ' LYS . 15.6 t -63.04 -41.09 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -72.19 -49.15 37.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.16 -39.36 92.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 52.3 m -67.43 -46.45 73.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -63.89 -51.23 65.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 81' ' ' ILE . 17.3 ptp180 -61.62 -34.75 76.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -78.29 -24.46 46.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 tpp -72.93 -57.38 4.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.02 20.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 77' ' ' ARG . 52.9 mt 67.18 -75.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 59.92 171.51 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 60.4 m -79.13 60.94 3.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -46.96 106.65 0.61 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.627 0.727 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -7.61 21.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.327 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.3 t0 65.2 48.84 2.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.618 HD23 ' CG ' ' A' ' 90' ' ' ARG . 17.9 tp 63.77 40.47 7.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.929 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 51.41 48.67 22.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.084 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.9 107.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.153 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.618 ' CG ' HD23 ' A' ' 87' ' ' LEU . 3.3 mtm-85 -92.79 21.14 5.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -117.69 25.71 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -32.37 70.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.66 146.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -103.32 -118.4 4.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 69.23 11.21 8.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.838 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -118.99 -2.79 10.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.12 11.11 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 93.2 p -174.81 43.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -158.89 51.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -146.53 90.44 5.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.575 0.702 . . . . 0.0 110.893 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -172.0 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.725 2.283 . . . . 0.0 112.323 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -141.75 34.37 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -51.22 -31.38 20.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.88 35.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.105 179.937 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.42 -57.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -143.54 95.93 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 7.4 mtm -134.02 -78.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . 66.51 13.06 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 70.7 m -55.26 -57.56 11.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.12 -22.44 65.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.072 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -78.37 -41.93 31.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.467 HD23 HD13 ' A' ' 46' ' ' LEU . 10.4 tt -69.72 -40.35 76.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.732 HG22 ' HB2' ' A' ' 46' ' ' LEU . 95.0 t -70.38 -52.06 32.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.6 m -59.82 -41.2 90.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.5 t -69.4 -52.16 29.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.573 ' HA ' HG11 ' A' ' 72' ' ' VAL . 19.9 m -57.25 -41.64 80.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.85 -53.66 47.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -50.53 -52.35 39.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.591 ' HD3' HG13 ' A' ' 72' ' ' VAL . 1.5 tmpt? -65.87 -48.97 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.477 HD12 HD12 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -52.52 -44.35 65.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.58 -30.69 64.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -76.8 -18.48 58.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.922 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.665 ' CZ ' HG22 ' A' ' 75' ' ' THR . 7.4 m-85 -104.28 143.05 33.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -56.36 -179.45 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.0 mt -57.91 -22.59 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.13 -51.39 18.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.506 ' OE2' HG21 ' A' ' 75' ' ' THR . 4.7 mp0 -61.73 -50.95 70.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.717 HD21 HG13 ' A' ' 39' ' ' ILE . 6.6 mp -59.05 -31.46 68.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.513 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -67.07 -51.32 55.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -59.21 -42.09 90.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.477 HD12 HD12 ' A' ' 12' ' ' LEU . 97.4 mt -63.79 -58.82 5.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.787 HD13 ' CD2' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -61.19 -27.02 68.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.621 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -67.65 -46.95 70.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.426 HE22 HD11 ' A' ' 71' ' ' ILE . 18.2 mt-30 -69.99 -34.62 73.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.566 HD23 ' CA ' ' A' ' 63' ' ' LEU . 4.6 mt -67.35 -26.91 66.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.77 0.08 42.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.66 HD21 ' CD ' ' A' ' 41' ' ' ARG . 3.4 mp -51.6 162.76 0.68 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 110.896 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 164.39 34.73 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.714 2.276 . . . . 0.0 112.349 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -65.74 -30.08 70.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.46 -172.71 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.87 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.91 94.68 2.27 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.517 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.34 177.88 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.774 0.321 . . . . 0.0 110.935 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.654 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -51.85 -37.44 52.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -71.71 -48.18 48.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -48.86 72.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.787 ' CD2' HD13 ' A' ' 24' ' ' LEU . 1.7 mt -63.18 -56.8 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.717 HG13 HD21 ' A' ' 20' ' ' LEU . 1.2 mt -51.42 -50.58 28.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.47 -31.87 71.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.66 ' CD ' HD21 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -66.83 -49.45 65.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.7 t -58.3 -56.65 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 7.7 mt -58.88 -35.13 72.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.61 -29.15 69.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.503 HD21 HG21 ' A' ' 68' ' ' VAL . 0.1 OUTLIER -77.9 -44.45 27.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.732 ' HB2' HG22 ' A' ' 5' ' ' VAL . 9.4 mt -78.89 -11.9 60.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.898 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.0 m -107.5 -66.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.21 -12.36 61.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -130.53 23.66 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -21.18 11.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.919 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.07 31.2 6.44 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.469 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -83.59 2.59 36.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -74.17 -10.87 60.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -53.89 -66.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.825 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -165.85 165.09 18.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.18 47.72 0.75 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.544 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.77 -64.42 1.31 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.809 0.337 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 58.48 18.73 38.23 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? 44.15 58.86 3.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.48 -30.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.401 HD22 ' N ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -45.36 -36.85 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.509 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 2.3 m 42.54 44.72 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.566 ' CA ' HD23 ' A' ' 27' ' ' LEU . 1.7 pp -137.89 25.35 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -132.57 -177.17 4.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.3 mtmm -49.06 -28.85 4.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -60.97 -51.53 68.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.509 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -64.53 -50.79 65.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.076 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.587 ' O ' HG23 ' A' ' 72' ' ' VAL . 98.1 t -57.85 -47.29 86.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.16 -22.59 61.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -66.79 -48.78 67.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.426 HD11 HE22 ' A' ' 26' ' ' GLN . 11.7 mm -75.47 -39.97 41.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.164 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.591 HG13 ' HD3' ' A' ' 11' ' ' LYS . 78.0 t -62.44 -42.94 97.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.732 ' HB2' HD12 ' A' ' 87' ' ' LEU . 69.5 m-20 -74.14 -48.73 27.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -52.03 67.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.665 HG22 ' CZ ' ' A' ' 15' ' ' PHE . 32.2 m -61.28 -50.49 72.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -60.64 -42.32 96.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -69.87 -27.91 65.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -77.53 -38.84 47.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 14.5 ttp -80.79 -55.15 5.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -71.84 -49.14 40.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.414 HG22 ' O ' ' A' ' 81' ' ' ILE . 5.4 mt 55.72 24.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -142.77 164.98 28.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 76.78 -53.74 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 50.46 78.0 0.43 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.565 0.698 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -2.26 9.88 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.729 2.286 . . . . 0.0 112.353 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.3 t0 68.34 92.26 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.732 HD12 ' HB2' ' A' ' 73' ' ' ASP . 0.3 OUTLIER -39.11 -60.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.599 ' N ' HD23 ' A' ' 87' ' ' LEU . . . 174.05 -28.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.435 ' H ' HD23 ' A' ' 87' ' ' LEU . 2.9 m 67.76 11.69 8.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 48.32 33.65 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 91.1 p -101.32 -34.66 9.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.39 -25.92 61.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.7 p -165.55 69.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.798 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -131.05 -102.65 0.93 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.75 10.51 7.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.899 0.381 . . . . 0.0 110.903 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -115.17 -2.59 12.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.57 13.15 30.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.3 t -56.94 111.74 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.2 t80 63.26 43.76 6.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.32 156.88 1.32 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.733 . . . . 0.0 110.869 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -171.49 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.687 2.258 . . . . 0.0 112.375 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -115.97 35.33 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.38 24.81 14.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 54.2 32.92 16.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.115 179.936 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 60.1 p -172.98 49.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.9 0.381 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 61.44 47.45 6.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 2.6 mtt -145.3 79.71 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -126.7 -1.17 6.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.134 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 76.7 p -49.66 -56.76 8.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.4 -21.23 66.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -77.22 -43.94 31.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.554 ' CD2' HD13 ' A' ' 46' ' ' LEU . 5.4 tt -70.06 -41.58 73.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.22 -51.84 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 m -61.56 -40.3 94.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.4 t -70.13 -48.32 58.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 m -60.47 -41.2 93.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.97 -54.6 28.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -51.35 -51.09 57.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.704 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -65.1 -53.3 47.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' CD1' HD12 ' A' ' 23' ' ' ILE . 0.6 OUTLIER -51.36 -43.44 61.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.884 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.75 -37.96 85.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -75.88 -17.67 59.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.946 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -95.64 136.47 36.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.05 171.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mt -51.02 -25.24 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -47.83 60.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.632 ' OE2' HD11 ' A' ' 23' ' ' ILE . 31.7 tp10 -54.72 -58.75 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.597 HD12 ' CD1' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -62.7 -29.69 70.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.714 ' O ' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -60.07 -47.57 85.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -40.65 77.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.632 HD11 ' OE2' ' A' ' 19' ' ' GLU . 95.8 mt -62.19 -55.86 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.867 ' HA ' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -60.47 -40.69 92.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.559 ' HA ' HD23 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -55.5 -42.12 74.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -71.38 -40.51 70.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.133 HD22 HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -68.82 -12.12 61.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.608 ' O ' ' C ' ' A' ' 29' ' ' LEU . . . 107.15 46.36 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.452 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.608 ' C ' ' O ' ' A' ' 28' ' ' GLY . 3.0 pp -18.26 118.56 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.711 . . . . 0.0 110.94 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.623 ' HD2' HD12 ' A' ' 24' ' ' LEU . 54.4 Cg_endo -69.73 -165.84 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -69.23 -16.5 63.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -174.99 158.79 2.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.9 95.21 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.37 175.8 2.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.805 0.336 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' O ' HD13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -47.83 -49.43 29.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -68.57 -46.24 69.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.33 -43.84 71.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.757 ' CD2' HD13 ' A' ' 24' ' ' LEU . 96.5 mt -65.15 -54.89 22.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.464 HG13 HD23 ' A' ' 12' ' ' LEU . 1.5 mp -50.93 -53.29 14.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.3 OUTLIER -61.07 -34.65 75.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.853 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.1 mmt-85 -65.85 -48.3 72.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 12' ' ' LEU . 42.5 t -53.98 -52.02 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 7.7 mt -59.52 -41.51 90.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.81 -26.08 68.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.133 HD11 HD22 ' A' ' 27' ' ' LEU . 42.7 mt -75.66 -52.08 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.971 HD21 HG21 ' A' ' 68' ' ' VAL . 3.5 mt -74.92 -9.88 58.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.0 m -107.54 -70.41 0.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.74 -10.9 60.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.23 23.65 4.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -52.52 -22.23 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.47 34.92 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.65 63.22 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.796 0.331 . . . . 0.0 110.93 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -140.31 9.07 2.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 62.31 63.25 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.459 ' HA ' ' NE1' ' A' ' 57' ' ' TRP . 0.5 OUTLIER 51.26 -170.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.07 41.79 1.26 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.459 ' NE1' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -113.24 -1.19 14.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.806 0.336 . . . . 0.0 110.944 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -57.94 -16.07 23.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.454 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -91.09 55.48 2.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.882 0.372 . . . . 0.0 110.885 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 61' ' ' ASN . 0.1 OUTLIER 64.51 16.44 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.933 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.534 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 0.6 OUTLIER 34.09 46.97 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 m -79.01 44.34 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -174.67 25.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.81 -179.88 5.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.14 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.475 ' HB2' HD11 ' A' ' 4' ' ' LEU . 0.8 OUTLIER -51.51 -32.58 28.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -61.08 -49.23 78.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.534 ' HB2' ' O ' ' A' ' 61' ' ' ASN . . . -65.68 -53.66 38.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.1 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.971 HG21 HD21 ' A' ' 46' ' ' LEU . 86.2 t -55.62 -45.8 79.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.722 ' HB1' HD22 ' A' ' 87' ' ' LEU . . . -70.5 -28.62 65.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -63.57 -50.64 68.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.1 mm -70.3 -51.88 34.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.704 HG13 ' HB3' ' A' ' 11' ' ' LYS . 56.3 t -52.71 -39.23 29.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -70.08 -44.53 68.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.66 -39.99 82.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.7 -44.81 63.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -67.81 -29.24 68.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -53.25 8.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.821 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -62.05 -39.7 93.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.7 ttm -77.28 -52.41 9.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -132.57 73.08 1.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.427 ' C ' ' O ' ' A' ' 80' ' ' GLN . 13.4 mm -35.32 -46.16 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 61.61 -89.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 175.41 33.49 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 64.93 87.84 0.12 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.556 0.694 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -4.68 14.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 0.0 112.372 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.636 ' HB3' HG23 ' A' ' 89' ' ' THR . 2.4 m-20 51.41 58.82 5.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.849 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.722 HD22 ' HB1' ' A' ' 69' ' ' ALA . 4.3 tt -46.7 -74.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.543 ' N ' HD23 ' A' ' 87' ' ' LEU . . . -83.52 -24.3 31.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.636 HG23 ' HB3' ' A' ' 86' ' ' ASP . 0.3 OUTLIER 61.84 103.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.89 74.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.4 m -170.49 30.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -111.13 -28.52 8.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.9 t -179.24 69.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 115.84 108.09 2.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 34.0 t -151.38 15.22 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 110.839 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.88 -4.98 6.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -104.42 9.11 35.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -175.89 48.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -73.91 75.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -50.86 160.56 0.78 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -171.89 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.29 32.17 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 51.51 38.88 23.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.89 84.9 0.32 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.072 179.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 19.4 m -161.59 30.33 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 0.0 110.861 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 59.98 94.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 67.32 72.6 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -87.76 39.31 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.44 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.2 OUTLIER 74.06 -2.01 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.803 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.14 -34.01 68.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -79.05 -39.24 34.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.76 -41.46 78.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 1' ' ' SER . 77.0 t -72.56 -50.4 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -59.99 -37.48 79.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 44.0 t -74.54 -52.7 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.8 m -58.44 -42.54 87.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -54.54 18.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -51.78 -45.48 63.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.631 ' CB ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -70.35 -57.58 4.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.845 HD11 HD23 ' A' ' 20' ' ' LEU . 0.6 OUTLIER -49.7 -42.18 45.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.82 -40.43 75.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -74.33 -13.66 60.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.891 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -100.76 138.48 37.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -56.77 -178.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.725 ' HA ' HD12 ' A' ' 20' ' ' LEU . 1.8 mt -52.29 -24.88 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -46.32 -50.17 16.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.766 ' HG3' HD12 ' A' ' 12' ' ' LEU . 8.0 tp10 -56.33 -53.9 51.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.845 HD23 HD11 ' A' ' 12' ' ' LEU . 2.7 mt -58.99 -34.59 72.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.538 ' HA ' HD22 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -59.76 -48.35 82.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.87 -41.19 97.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.752 HG21 HG22 ' A' ' 42' ' ' VAL . 42.9 mm -65.6 -57.25 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.697 HD13 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -60.2 -26.87 66.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.622 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -70.25 -45.31 66.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -73.75 -27.39 61.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.41 ' O ' HD12 ' A' ' 27' ' ' LEU . 9.7 tp -69.34 -10.98 60.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.514 ' C ' HD23 ' A' ' 29' ' ' LEU . . . 109.53 19.78 8.14 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.514 HD23 ' C ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER 35.17 90.74 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.882 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 174.48 9.46 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.692 2.262 . . . . 0.0 112.333 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -47.18 -31.71 3.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -175.73 -175.74 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.24 94.61 0.1 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -68.24 178.58 1.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.864 0.364 . . . . 0.0 110.862 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.703 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -47.88 -45.56 30.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -70.38 -49.9 44.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.89 -48.47 64.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.697 HD21 HD13 ' A' ' 24' ' ' LEU . 1.9 mt -61.31 -52.32 65.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 35' ' ' LYS . 1.2 mt -50.32 -49.85 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.81 -32.98 74.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -44.1 69.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.752 HG22 HG21 ' A' ' 23' ' ' ILE . 62.0 t -60.05 -58.5 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 9.8 mt -57.69 -38.81 75.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.37 -25.44 65.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.066 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.466 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -78.9 -44.75 22.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.815 HD21 HG21 ' A' ' 68' ' ' VAL . 8.8 mt -80.12 -11.08 59.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.3 m -107.47 -64.83 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -11.13 60.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -132.08 25.02 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -21.81 13.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.83 49.42 78.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.466 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.47 32.09 3.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -136.3 -38.68 0.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -176.14 -35.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.449 ' HA ' ' CE2' ' A' ' 57' ' ' TRP . 42.8 p-80 -102.65 59.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.84 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -117.91 57.6 0.53 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.449 ' CE2' ' HA ' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -113.67 -14.77 12.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.846 0.355 . . . . 0.0 110.921 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.25 45.06 3.15 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.434 ' HA ' HG21 ' A' ' 64' ' ' THR . 2.0 ttm-85 -98.3 5.72 48.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 -179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -128.69 36.34 4.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.478 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -114.23 17.18 17.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.5 t 51.03 41.17 27.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.0 pp -164.9 33.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.434 HG21 ' HA ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -112.43 -175.05 2.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.4 ' HA ' HD22 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -47.71 -32.99 6.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.19 -48.69 80.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.6 -49.69 70.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.815 HG21 HD21 ' A' ' 46' ' ' LEU . 41.2 t -56.06 -44.82 79.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.11 -25.89 61.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -66.74 -48.92 67.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.886 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.5 mm -73.43 -38.52 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.631 HG13 ' CB ' ' A' ' 11' ' ' LYS . 41.9 t -64.36 -40.19 88.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -72.53 -48.6 39.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -63.13 -42.18 99.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 97.1 m -69.69 -39.69 76.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -70.77 -43.06 69.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -70.74 -30.21 66.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.63 -40.93 47.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 2.5 ttm -77.46 -44.64 28.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -76.84 -45.91 26.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.448 HG22 ' O ' ' A' ' 81' ' ' ILE . 6.2 mt 61.75 17.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -71.28 -169.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 71.9 m -82.27 60.47 5.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 83' ' ' CYS . . . 67.08 131.96 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.535 0.683 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -2.99 11.11 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.31 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.0 t70 68.7 52.39 0.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.0 OUTLIER -79.41 1.47 25.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.949 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.404 ' HB3' ' O ' ' A' ' 87' ' ' LEU . . . 67.18 11.69 8.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.117 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.2 m 51.0 28.25 3.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 10.7 mtm180 54.78 25.34 6.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.8 t -58.93 -38.54 79.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.52 63.52 2.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 6.2 p -174.44 137.0 0.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.21 92.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.451 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.2 5.88 4.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 -179.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 50.82 25.75 2.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 13.0 t80 57.29 22.37 7.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.63 173.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -128.11 38.64 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.82 160.75 0.75 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -171.39 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.685 2.256 . . . . 0.0 112.313 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -141.98 33.79 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.07 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 179.96 -157.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 16.8 t -179.94 -42.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.933 0.397 . . . . 0.0 110.9 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -148.37 95.43 2.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.842 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . 0.451 ' HB2' ' HE2' ' A' ' -2' ' ' MET . 22.9 mtm -136.15 81.47 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 1' ' ' SER . . . -82.77 54.05 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' -1' ' ' ALA . 0.4 OUTLIER 79.83 -42.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.816 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.48 -30.42 53.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.83 -41.26 44.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.65 -42.5 74.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.9 t -67.8 -51.31 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -60.61 -40.54 92.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.2 t -71.23 -54.0 12.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 54.9 m -58.35 -39.84 80.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -53.1 49.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.902 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -49.89 -52.03 36.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.552 ' CB ' HG13 ' A' ' 72' ' ' VAL . 4.2 mttm -68.48 -42.57 78.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.492 ' CD1' HD22 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -56.17 -43.11 78.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.87 -41.85 70.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -74.02 -13.29 60.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.494 ' CE1' HG22 ' A' ' 75' ' ' THR . 7.1 m-85 -100.82 133.62 45.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.933 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -60.32 -169.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.636 HG23 HD13 ' A' ' 38' ' ' LEU . 1.8 mt -62.81 -24.12 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.103 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -48.61 -48.65 39.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' OE1' HD23 ' A' ' 20' ' ' LEU . 11.5 tm-20 -66.83 -53.33 33.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.578 ' O ' HD13 ' A' ' 24' ' ' LEU . 2.1 mt -51.13 -53.88 30.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.03 -39.88 91.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.62 -52.33 55.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.746 HG22 ' CD1' ' A' ' 27' ' ' LEU . 20.8 mm -69.27 -34.37 62.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.589 ' CD2' HD23 ' A' ' 38' ' ' LEU . 6.0 mp -62.55 -58.84 6.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -57.09 -38.66 73.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -75.36 -19.88 59.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.746 ' CD1' HG22 ' A' ' 23' ' ' ILE . 10.6 mt -87.18 -34.04 19.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.22 41.07 10.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.3 mt -122.81 77.8 48.98 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.665 0.745 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 83.21 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.59 61.24 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.55 ' H ' ' NE2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -127.96 -170.68 2.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.933 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.04 -96.35 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.86 -179.61 4.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 110.906 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.586 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -49.5 -28.34 5.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -72.81 -47.55 45.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -48.51 81.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.636 HD13 HG23 ' A' ' 17' ' ' ILE . 1.3 mt -60.22 -58.17 9.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.583 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.8 OUTLIER -52.87 -50.18 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.158 179.826 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -62.56 -28.36 69.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.9 mmm-85 -66.94 -50.89 60.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.31 -54.17 38.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.468 HD21 HD22 ' A' ' 12' ' ' LEU . 26.3 mt -58.31 -36.42 73.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.71 69.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.458 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -77.21 -44.33 30.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.054 HD21 HG21 ' A' ' 68' ' ' VAL . 12.6 mt -78.43 -12.26 60.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.1 m -106.24 -67.63 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.73 -12.95 61.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -130.74 24.84 5.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.64 -22.49 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.11 46.25 81.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.459 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -43.28 93.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.934 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.51 64.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.45 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -179.32 74.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.45 ' CG ' ' O ' ' A' ' 54' ' ' HIS . 33.0 p80 44.17 -165.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 123.41 33.23 0.84 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -114.07 -67.56 0.99 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.843 0.354 . . . . 0.0 110.948 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.485 ' O ' ' HG2' ' A' ' 59' ' ' ARG . . . 50.26 33.1 22.76 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.485 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER 45.17 28.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 110.919 -179.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 71.8 82.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.96 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.553 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -89.31 15.64 8.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.548 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 0.2 OUTLIER 68.04 20.41 9.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.613 ' CA ' HD23 ' A' ' 27' ' ' LEU . 3.6 pp -141.36 25.51 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.04 -178.17 4.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -49.0 -37.25 19.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -61.33 -41.72 97.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.548 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -64.6 -50.06 68.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.086 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.054 HG21 HD21 ' A' ' 46' ' ' LEU . 24.7 t -55.32 -47.58 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.01 -24.09 60.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -66.35 -49.11 68.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.584 ' HB ' HD11 ' A' ' 23' ' ' ILE . 13.0 mm -74.39 -40.59 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.11 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.552 HG13 ' CB ' ' A' ' 11' ' ' LYS . 43.9 t -61.22 -41.84 91.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -72.45 -48.49 40.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.11 -43.55 98.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.494 HG22 ' CE1' ' A' ' 15' ' ' PHE . 62.7 m -66.79 -43.36 84.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.088 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -67.09 -53.37 31.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -56.88 -36.13 69.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -80.79 -24.9 38.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -56.21 15.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -150.94 16.78 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER 45.42 86.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.171 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -85.79 -178.43 6.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 13.5 m -72.49 68.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -44.46 107.45 0.62 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.572 0.701 . . . . 0.0 111.149 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -5.57 16.52 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.32 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t0 63.56 66.69 0.67 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 96.8 mt -42.94 -75.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 87' ' ' LEU . . . 178.28 33.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.56 HG23 ' HG3' ' A' ' 103' ' ' GLU . 1.8 m 73.8 -60.99 0.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -174.17 28.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.8 t 177.02 107.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.1 t60 -94.71 -27.5 15.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.6 t -144.69 80.65 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 123.3 95.76 1.21 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.67 7.04 7.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.877 0.37 . . . . 0.0 110.844 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 52.66 24.21 3.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.838 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 10.2 t80 61.37 21.32 11.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -118.02 -170.07 1.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.4 t80 62.0 70.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.9 mtm180 -50.76 160.6 0.76 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 110.872 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 95.46 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.693 2.262 . . . . 0.0 112.377 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.1 34.15 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.56 ' HG3' HG23 ' A' ' 89' ' ' THR . 17.0 tt0 -51.02 -31.55 18.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -69.08 84.94 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.904 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.98 27.62 3.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.391 . . . . 0.0 110.845 -179.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 61.44 47.46 6.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 10.6 mtm -145.18 83.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . 0.664 ' HB2' ' CD2' ' A' ' 92' ' ' HIS . . . -111.37 -15.78 13.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.09 -52.52 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.21 -21.68 66.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.088 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -77.65 -43.63 30.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.676 HD11 ' HB2' ' A' ' 65' ' ' LYS . 10.1 tt -69.93 -41.2 74.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.1 t -68.67 -51.14 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -61.56 -38.1 86.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.4 p -72.71 -52.76 13.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' HA ' HG11 ' A' ' 72' ' ' VAL . 52.3 m -60.14 -40.02 88.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.468 ' HB2' HD22 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -67.27 -54.05 24.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -50.93 -47.01 61.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.552 ' HB3' HG13 ' A' ' 72' ' ' VAL . 1.0 OUTLIER -70.13 -52.48 23.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.558 HD23 HG12 ' A' ' 39' ' ' ILE . 0.7 OUTLIER -51.6 -42.81 62.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.42 -43.89 72.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -70.65 -14.52 62.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.543 ' CE1' ' HE2' ' A' ' 79' ' ' MET . 12.1 m-85 -100.98 136.51 40.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -53.93 176.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 mt -52.02 -24.37 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.02 -50.85 14.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' OE1' HG22 ' A' ' 72' ' ' VAL . 2.6 mm-40 -57.48 -55.54 33.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.897 ' O ' HD22 ' A' ' 24' ' ' LEU . 2.2 mp -54.29 -53.61 51.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.85 -45.47 20.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.79 -43.58 90.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 68' ' ' VAL . 32.3 mm -56.97 -53.09 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.897 HD22 ' O ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -62.51 -50.19 72.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -47.46 -34.88 7.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.891 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.437 ' OE1' HD11 ' A' ' 71' ' ' ILE . 20.6 mt-30 -77.0 -37.13 55.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.947 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.837 HD23 ' HA ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -81.18 -4.97 57.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.554 ' O ' HD12 ' A' ' 29' ' ' LEU . . . 112.67 41.6 1.01 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.499 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.554 HD12 ' O ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER 71.81 154.97 0.15 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.61 0.719 . . . . 0.0 110.934 -179.882 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.465 ' N ' ' HB3' ' A' ' 24' ' ' LEU . 53.2 Cg_endo -69.81 177.85 5.2 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.634 2.222 . . . . 0.0 112.347 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.22 30.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.94 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.402 ' HB3' ' HB3' ' A' ' 37' ' ' ASP . 0.3 OUTLIER -118.61 -169.45 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.47 -120.77 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.79 -172.08 2.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.687 ' HA ' HD12 ' A' ' 38' ' ' LEU . 0.7 OUTLIER -47.77 -30.93 4.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -67.99 -55.39 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.402 ' HB3' ' HB3' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -56.18 -46.21 79.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 35' ' ' LYS . 4.2 mt -58.64 -52.55 65.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.771 HG13 HD21 ' A' ' 20' ' ' LEU . 1.1 mt -51.23 -50.25 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.086 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -58.92 -34.63 71.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -45.44 77.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.407 HG11 HD13 ' A' ' 12' ' ' LEU . 54.7 t -57.79 -54.96 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 9' ' ' LYS . 11.5 mt -58.38 -37.47 75.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.83 -26.45 66.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 46' ' ' LEU . 0.1 OUTLIER -78.61 -43.87 25.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.004 HD11 HG11 ' A' ' 68' ' ' VAL . 10.0 mt -80.13 -11.53 59.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.6 m -106.68 -64.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -11.83 60.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -131.58 24.54 4.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -23.03 5.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.1 45.74 79.04 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.501 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -39.52 64.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.818 0.342 . . . . 0.0 110.894 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -122.86 37.29 4.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -154.12 -170.32 3.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -132.67 -173.38 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 135.93 34.32 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -113.87 -71.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.908 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.9 -62.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? 178.22 -31.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.87 26.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.531 ' N ' HD22 ' A' ' 61' ' ' ASN . 0.1 OUTLIER -51.06 -24.1 3.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.904 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.842 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 13.4 m 61.79 34.71 17.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.826 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.542 HD22 ' HA ' ' A' ' 27' ' ' LEU . 1.6 mt -125.47 32.92 5.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -148.78 -175.8 5.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.676 ' HB2' HD11 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -48.42 -31.07 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -58.89 -49.85 76.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.842 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -67.03 -51.48 54.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.076 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.004 HG11 HD11 ' A' ' 46' ' ' LEU . 88.7 t -55.42 -47.15 78.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.5 -27.23 63.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.102 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -63.53 -51.05 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.437 HD11 ' OE1' ' A' ' 26' ' ' GLN . 15.3 mm -70.87 -52.06 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.552 HG13 ' HB3' ' A' ' 11' ' ' LYS . 71.1 t -51.82 -40.53 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -69.53 -45.88 67.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.49 -52.51 65.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -43.07 98.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -65.85 -32.5 74.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.96 -52.64 33.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -60.91 -45.02 96.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.543 ' HE2' ' CE1' ' A' ' 15' ' ' PHE . 1.3 tmm? -71.58 -26.41 62.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -137.7 71.9 1.41 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 14.4 pt -74.03 69.42 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -174.25 144.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 63.43 20.68 12.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.94 118.13 11.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -6.97 19.88 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.252 . . . . 0.0 112.323 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.411 ' C ' HD23 ' A' ' 87' ' ' LEU . 21.4 t0 64.92 33.44 9.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.411 HD23 ' C ' ' A' ' 86' ' ' ASP . 0.4 OUTLIER 45.64 30.29 0.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 49.6 33.5 5.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m 51.26 28.46 4.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.78 24.79 5.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.5 p -128.79 103.58 7.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.664 ' CD2' ' HB2' ' A' ' -1' ' ' ALA . 2.4 t-160 -176.42 -35.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.857 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.0 m -109.23 56.68 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -96.15 -92.98 1.8 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -136.55 -159.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.43 -12.92 16.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.82 12.78 9.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.7 m 59.28 43.7 16.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -165.7 57.92 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -50.85 136.13 26.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -172.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.674 2.25 . . . . 0.0 112.344 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -142.13 34.34 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -51.11 -31.86 20.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -69.36 84.55 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.942 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.02 -59.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.913 0.387 . . . . 0.0 110.852 -179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -143.41 96.5 2.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.5 72.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . 0.425 ' O ' ' CB ' ' A' ' 1' ' ' SER . . . -76.85 57.36 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' -1' ' ' ALA . 0.2 OUTLIER 78.64 -42.93 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.17 -31.88 21.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.33 -39.15 40.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 tt -68.91 -39.8 79.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 93.3 t -72.68 -51.82 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.148 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 m -58.96 -42.0 88.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 97.4 p -68.47 -54.73 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 12.2 m -52.66 -39.35 61.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.14 -49.15 65.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -54.36 28.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.803 ' HG3' HG11 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -65.06 -47.62 76.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.706 ' CD1' HG21 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -54.88 -41.73 71.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.885 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.5 -41.09 80.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -69.0 -20.49 64.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.921 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.447 ' CZ ' HG22 ' A' ' 75' ' ' THR . 0.8 OUTLIER -95.44 132.6 40.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -54.35 176.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.618 HG23 HD12 ' A' ' 38' ' ' LEU . 3.7 mt -55.14 -23.47 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.09 -49.27 42.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.683 ' CG ' HG22 ' A' ' 72' ' ' VAL . 10.6 tp10 -63.26 -58.78 6.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.481 ' CD2' HD21 ' A' ' 12' ' ' LEU . 2.9 mp -54.4 -30.62 52.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.928 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' O ' HD23 ' A' ' 24' ' ' LEU . 7.8 tptm -68.12 -56.04 10.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -54.31 -42.18 69.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.783 HD11 ' HB ' ' A' ' 71' ' ' ILE . 29.6 mm -64.4 -50.03 78.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.647 HD11 ' NE2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -66.69 -26.25 66.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.558 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -76.6 -37.95 55.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -78.78 -29.41 44.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 63' ' ' LEU . 16.6 mt -67.67 -30.97 70.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.45 37.02 8.35 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.493 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.639 HD23 ' HD2' ' A' ' 41' ' ' ARG . 8.9 mp -109.59 84.14 3.02 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.6 0.714 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 74.65 1.27 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.75 -40.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.647 ' NE2' HD11 ' A' ' 24' ' ' LEU . 2.7 mm-40 66.3 -160.11 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' HA3' ' HB3' ' A' ' 37' ' ' ASP . . . 134.6 151.9 6.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.485 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.08 176.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.845 0.355 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.712 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.1 OUTLIER -50.58 -36.19 33.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.838 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.43 -51.31 53.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.402 ' HB3' ' HA3' ' A' ' 33' ' ' GLY . 0.1 OUTLIER -56.05 -48.9 75.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.903 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.618 HD12 HG23 ' A' ' 17' ' ' ILE . 20.1 mt -56.78 -53.97 51.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.9 OUTLIER -50.87 -54.8 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.438 ' N ' HG22 ' A' ' 39' ' ' ILE . 0.8 OUTLIER -60.55 -28.72 68.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.639 ' HD2' HD23 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -64.95 -52.55 55.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.828 ' HA ' HD12 ' A' ' 45' ' ' LEU . 19.2 t -57.72 -52.9 51.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 39' ' ' ILE . 11.1 mt -56.1 -38.66 71.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.67 71.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.828 HD12 ' HA ' ' A' ' 42' ' ' VAL . 6.9 mt -75.24 -49.78 18.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.642 HD22 ' HA ' ' A' ' 65' ' ' LYS . 2.9 mt -73.39 -12.31 60.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 95.0 m -106.14 -72.66 0.71 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.25 -14.21 60.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.98 24.75 5.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.6 -22.85 5.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.97 45.66 71.7 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.537 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.96 -24.49 13.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.771 0.32 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.5 ptp180 -114.36 22.56 13.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.31 -172.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -60.15 -172.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.609 ' O ' HG21 ' A' ' 64' ' ' THR . . . 128.81 34.79 0.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.451 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -115.14 -63.94 1.39 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.847 0.356 . . . . 0.0 110.956 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 54.65 23.05 27.37 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 42.87 65.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 110.839 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.99 67.24 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.486 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 0.2 OUTLIER -87.32 13.3 10.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 52.2 m 49.32 41.71 20.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.687 ' HA ' HD23 ' A' ' 27' ' ' LEU . 2.6 pp -159.73 24.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.609 HG21 ' O ' ' A' ' 56' ' ' GLY . 1.1 p -131.55 -179.65 5.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.642 ' HA ' HD22 ' A' ' 46' ' ' LEU . 3.7 pttt -51.02 -40.16 57.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.97 -42.5 94.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.425 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -65.2 -51.31 61.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.753 ' HA ' HD12 ' A' ' 23' ' ' ILE . 24.7 t -52.84 -51.0 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.14 -25.46 62.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -49.95 70.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.783 ' HB ' HD11 ' A' ' 23' ' ' ILE . 17.1 mm -67.71 -53.45 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.152 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.803 HG11 ' HG3' ' A' ' 11' ' ' LYS . 23.3 t -56.07 -35.0 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -68.1 -49.76 59.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -66.08 -40.07 90.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.447 HG22 ' CZ ' ' A' ' 15' ' ' PHE . 5.7 m -61.63 -48.25 81.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.41 ' HA ' ' HB3' ' A' ' 79' ' ' MET . 0.0 OUTLIER -67.83 -42.89 80.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.18 -49.34 69.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.853 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.42 -25.91 41.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.41 ' HB3' ' HA ' ' A' ' 76' ' ' TYR . 7.1 ttp -56.63 -59.6 4.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 179.89 24.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 7.1 mt 41.06 37.83 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -50.59 103.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 75.6 m 45.24 85.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.424 ' HA ' ' HD2' ' A' ' 85' ' ' PRO . . . -65.68 112.48 8.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 111.133 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 84' ' ' ALA . 54.1 Cg_endo -69.73 -5.44 16.19 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.729 2.286 . . . . 0.0 112.368 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 t0 66.04 61.0 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 tp -50.86 -25.12 4.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 65.01 23.4 12.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.061 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.4 m 64.75 27.33 13.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.91 22.95 9.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.849 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 t -61.54 -32.51 72.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.843 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.71 66.69 2.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.38 140.27 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -87.14 -109.68 0.89 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.533 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.13 11.53 8.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.849 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -122.04 -2.7 9.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -105.26 9.16 34.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.0 m -166.31 47.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -73.17 78.0 1.27 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -50.47 160.6 0.71 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.839 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -171.97 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.642 2.228 . . . . 0.0 112.331 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.1 mt -141.87 33.98 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -51.16 -31.23 19.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 62.13 70.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.056 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . 0.609 ' H ' ' HB2' ' A' ' 2' ' ' ALA . 10.3 t -103.89 -28.15 11.76 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.392 . . . . 0.0 110.837 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' HIS . . . . . . . . . . . . . 58.0 m80 59.13 46.39 13.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' MET . . . . . . . . . . . . . 3.9 mmt -141.29 52.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' ALA . . . . . 0.55 ' HB2' ' HB3' ' A' ' 92' ' ' HIS . . . 51.27 24.83 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.096 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.583 ' O ' HG23 ' A' ' 5' ' ' VAL . 4.9 t -128.71 -32.7 2.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.609 ' HB2' ' H ' ' A' ' -4' ' ' SER . . . -67.46 -25.41 65.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -75.55 -44.35 43.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.966 HD23 HD13 ' A' ' 46' ' ' LEU . 2.9 tp -70.19 -39.94 74.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 1.01 HG22 HD11 ' A' ' 46' ' ' LEU . 98.1 t -67.49 -51.36 52.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m -63.75 -36.65 84.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.2 m -72.98 -52.75 13.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.837 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 55.7 m -60.3 -43.63 96.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -54.41 24.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -51.25 -47.55 62.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' HB3' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -68.97 -59.49 3.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' CD1' HD12 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -47.81 -42.71 26.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.967 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -68.52 -41.72 79.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 10.5 t80 -71.59 -16.64 62.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -95.51 134.12 38.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.8 ttm-85 -53.0 173.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.4 ' HA ' HD13 ' A' ' 20' ' ' LEU . 1.5 mt -49.88 -25.48 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.07 -50.22 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.959 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.451 ' OE1' HG22 ' A' ' 71' ' ' ILE . 42.8 tp10 -56.94 -55.2 37.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.649 ' HB3' HD13 ' A' ' 38' ' ' LEU . 4.9 mp -59.97 -30.9 69.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.515 ' O ' HD23 ' A' ' 24' ' ' LEU . 1.3 tptt -64.36 -47.71 78.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -62.73 -41.04 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.705 HG22 HD11 ' A' ' 27' ' ' LEU . 65.2 mt -64.99 -57.59 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.988 HD13 HD21 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -59.54 -28.25 66.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.933 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.585 ' N ' HD23 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -70.14 -42.22 72.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.908 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -78.82 -19.89 51.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.705 HD11 HG22 ' A' ' 23' ' ' ILE . 18.5 mt -79.19 2.55 20.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.95 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.53 ' C ' HD23 ' A' ' 29' ' ' LEU . . . 107.56 11.6 24.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.53 HD23 ' C ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER 35.82 92.19 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.949 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 29' ' ' LEU . 54.1 Cg_endo -69.78 174.55 9.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.65 2.233 . . . . 0.0 112.364 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -49.11 -31.21 7.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -174.21 -169.35 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.37 99.49 0.16 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -74.55 -174.62 2.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.353 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.676 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.6 OUTLIER -52.06 -47.01 65.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -70.6 -52.21 23.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.16 -45.19 61.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.988 HD21 HD13 ' A' ' 24' ' ' LEU . 72.8 mt -63.54 -54.93 28.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -51.4 -55.1 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.444 ' N ' HG22 ' A' ' 39' ' ' ILE . 1.1 t0 -59.67 -31.93 70.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.81 -50.33 65.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.481 HG13 HG11 ' A' ' 68' ' ' VAL . 38.3 t -55.84 -54.21 29.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.592 ' HA ' HD23 ' A' ' 46' ' ' LEU . 6.7 mt -61.93 -30.25 70.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.23 -53.43 55.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.102 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.451 ' HA ' ' HB2' ' A' ' 49' ' ' GLU . 6.4 mp -69.51 -41.46 76.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.01 HD11 HG22 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -68.1 -23.35 64.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.4 m -103.26 -76.2 0.59 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.36 -23.89 6.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.451 ' HB2' ' HA ' ' A' ' 45' ' ' LEU . 1.4 mt-10 -122.03 26.68 8.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.93 -22.3 5.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.3 -23.34 33.4 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.565 ' CG ' HG22 ' A' ' 64' ' ' THR . 2.7 mp0 -62.25 -17.06 57.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.91 -13.56 61.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 18.7 t-160 -81.93 -64.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -174.75 165.23 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.75 47.71 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -116.79 -62.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.854 0.359 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 101.23 14.46 30.61 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.495 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.6 ttp85 47.1 54.11 9.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -178.84 -32.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -47.29 -33.91 6.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.628 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 24.9 m 42.74 42.34 2.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.819 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.483 ' CB ' HD23 ' A' ' 27' ' ' LEU . 2.0 pp -140.9 20.72 2.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.917 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.565 HG22 ' CG ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -118.94 178.85 4.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -32.81 32.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -66.39 -42.64 87.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.628 ' HB2' ' HA ' ' A' ' 62' ' ' SER . . . -64.9 -53.38 47.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.693 HG13 HD13 ' A' ' 23' ' ' ILE . 54.1 t -55.93 -46.35 80.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.94 -28.41 65.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -50.68 67.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.451 HG22 ' OE1' ' A' ' 19' ' ' GLU . 20.1 mm -66.98 -51.94 49.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.479 HG13 ' HB3' ' A' ' 11' ' ' LYS . 1.0 OUTLIER -52.95 -42.1 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.689 ' OD2' HD21 ' A' ' 87' ' ' LEU . 65.6 m-20 -65.48 -43.66 89.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.12 -37.19 81.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -43.9 77.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -66.26 -52.91 42.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -59.1 -38.67 80.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.8 -21.03 44.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -58.94 3.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.54 -11.45 1.84 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.9 mt 71.29 -69.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -61.26 96.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 1.1 m -162.96 -50.36 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 50.11 85.93 0.17 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.567 0.699 . . . . 0.0 111.09 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -6.46 18.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.4 t0 64.27 71.05 0.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.689 HD21 ' OD2' ' A' ' 73' ' ' ASP . 6.2 mt -58.93 -19.64 44.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 65.53 14.13 9.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 2.7 m 52.58 25.93 3.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.551 ' CZ ' HD13 ' A' ' 4' ' ' LEU . 20.6 mmm180 49.97 58.61 5.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.3 t -161.87 76.73 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.55 ' HB3' ' HB2' ' A' ' -1' ' ' ALA . 1.8 t60 -101.16 -25.67 13.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 t -168.46 39.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -177.82 100.9 0.15 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.52 145.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.88 0.371 . . . . 0.0 110.794 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 63.18 10.62 4.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.41 4.92 10.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 t -170.82 43.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.863 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -79.95 78.93 6.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.63 90.31 5.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.612 0.72 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -172.25 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.33 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.2 mt -142.01 34.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -51.19 -31.7 21.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 63.14 87.8 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.929 . . . . . . . . 0 0 . 1 stop_ save_